
def load_dft(dbinstance):

    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='B3LYP', mode='unCP', basis='adz', value=-2.3857)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='B3LYP', mode='unCP', basis='adz', value=-4.6470)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='B3LYP', mode='unCP', basis='adz', value=-17.7380)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='B3LYP', mode='unCP', basis='adz', value=-14.6124)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='B3LYP', mode='unCP', basis='adz', value=-18.8113)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='B3LYP', mode='unCP', basis='adz', value=-14.8069)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='B3LYP', mode='unCP', basis='adz', value=-13.9449)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='B3LYP', mode='unCP', basis='adz', value=0.0584)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='B3LYP', mode='unCP', basis='adz', value=0.0539)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='B3LYP', mode='unCP', basis='adz', value=0.4007)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='B3LYP', mode='unCP', basis='adz', value=2.9138)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='B3LYP', mode='unCP', basis='adz', value=1.6071)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='B3LYP', mode='unCP', basis='adz', value=-1.9700)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='B3LYP', mode='unCP', basis='adz', value=3.4851)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='B3LYP', mode='unCP', basis='adz', value=-0.3156)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='B3LYP', mode='unCP', basis='adz', value=-1.0329)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='B3LYP', mode='unCP', basis='adz', value=-1.5051)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='B3LYP', mode='unCP', basis='adz', value=-0.4652)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='B3LYP', mode='unCP', basis='adz', value=-2.4022)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='B3LYP', mode='unCP', basis='adz', value=0.2058)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='B3LYP', mode='unCP', basis='adz', value=-1.5318)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='B3LYP', mode='unCP', basis='adz', value=-3.6463)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='B3LYP', mode='CP', basis='adz', value=-2.1008)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='B3LYP', mode='CP', basis='adz', value=-4.4156)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='B3LYP', mode='CP', basis='adz', value=-17.0602)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='B3LYP', mode='CP', basis='adz', value=-13.8555)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='B3LYP', mode='CP', basis='adz', value=-17.7532)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='B3LYP', mode='CP', basis='adz', value=-13.6804)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='B3LYP', mode='CP', basis='adz', value=-12.7712)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='B3LYP', mode='CP', basis='adz', value=0.4024)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='B3LYP', mode='CP', basis='adz', value=0.4907)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='B3LYP', mode='CP', basis='adz', value=0.8237)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='B3LYP', mode='CP', basis='adz', value=3.8277)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='B3LYP', mode='CP', basis='adz', value=2.5607)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='B3LYP', mode='CP', basis='adz', value=-0.7906)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='B3LYP', mode='CP', basis='adz', value=4.7611)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='B3LYP', mode='CP', basis='adz', value=1.4305)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='B3LYP', mode='CP', basis='adz', value=-0.6144)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='B3LYP', mode='CP', basis='adz', value=-1.1327)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='B3LYP', mode='CP', basis='adz', value=-0.0446)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='B3LYP', mode='CP', basis='adz', value=-1.8122)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='B3LYP', mode='CP', basis='adz', value=1.0673)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='B3LYP', mode='CP', basis='adz', value=-0.3483)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='B3LYP', mode='CP', basis='adz', value=-2.8746)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='B3LYP', mode='unCP', basis='atz', value=-2.2012)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='B3LYP', mode='unCP', basis='atz', value=-4.5226)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='B3LYP', mode='unCP', basis='atz', value=-17.5816)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='B3LYP', mode='unCP', basis='atz', value=-14.1720)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='B3LYP', mode='unCP', basis='atz', value=-18.2325)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='B3LYP', mode='unCP', basis='atz', value=-14.0372)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='B3LYP', mode='unCP', basis='atz', value=-13.1825)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='B3LYP', mode='unCP', basis='atz', value=0.3619)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='B3LYP', mode='unCP', basis='atz', value=0.4284)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='B3LYP', mode='unCP', basis='atz', value=0.6814)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='B3LYP', mode='unCP', basis='atz', value=3.5177)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='B3LYP', mode='unCP', basis='atz', value=2.2297)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='B3LYP', mode='unCP', basis='atz', value=-1.3289)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='B3LYP', mode='unCP', basis='atz', value=4.3268)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='B3LYP', mode='unCP', basis='atz', value=0.8020)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='B3LYP', mode='unCP', basis='atz', value=-0.7413)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='B3LYP', mode='unCP', basis='atz', value=-1.3036)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='B3LYP', mode='unCP', basis='atz', value=-0.1978)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='B3LYP', mode='unCP', basis='atz', value=-2.1442)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='B3LYP', mode='unCP', basis='atz', value=0.8103)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='B3LYP', mode='unCP', basis='atz', value=-0.8054)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='B3LYP', mode='unCP', basis='atz', value=-3.1681)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='B3LYP', mode='CP', basis='atz', value=-2.1789)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='B3LYP', mode='CP', basis='atz', value=-4.4686)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='B3LYP', mode='CP', basis='atz', value=-17.3258)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='B3LYP', mode='CP', basis='atz', value=-13.9762)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='B3LYP', mode='CP', basis='atz', value=-17.9036)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='B3LYP', mode='CP', basis='atz', value=-13.7632)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='B3LYP', mode='CP', basis='atz', value=-12.8369)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='B3LYP', mode='CP', basis='atz', value=0.3808)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='B3LYP', mode='CP', basis='atz', value=0.4920)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='B3LYP', mode='CP', basis='atz', value=0.7723)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='B3LYP', mode='CP', basis='atz', value=3.6965)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='B3LYP', mode='CP', basis='atz', value=2.4446)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='B3LYP', mode='CP', basis='atz', value=-0.9525)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='B3LYP', mode='CP', basis='atz', value=4.6065)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='B3LYP', mode='CP', basis='atz', value=1.2709)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='B3LYP', mode='CP', basis='atz', value=-0.6592)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='B3LYP', mode='CP', basis='atz', value=-1.1963)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='B3LYP', mode='CP', basis='atz', value=-0.1056)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='B3LYP', mode='CP', basis='atz', value=-1.9847)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='B3LYP', mode='CP', basis='atz', value=0.9789)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='B3LYP', mode='CP', basis='atz', value=-0.5456)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='B3LYP', mode='CP', basis='atz', value=-2.9407)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='B3LYP', mode='unCP', basis='dadz', value=-2.3766)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='B3LYP', mode='unCP', basis='dadz', value=-4.6969)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='B3LYP', mode='unCP', basis='dadz', value=-17.9179)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='B3LYP', mode='unCP', basis='dadz', value=-14.8581)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='B3LYP', mode='unCP', basis='dadz', value=-18.9304)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='B3LYP', mode='unCP', basis='dadz', value=-14.9540)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='B3LYP', mode='unCP', basis='dadz', value=-14.1758)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='B3LYP', mode='unCP', basis='dadz', value=0.0275)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='B3LYP', mode='unCP', basis='dadz', value=-0.0932)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='B3LYP', mode='unCP', basis='dadz', value=0.2955)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='B3LYP', mode='unCP', basis='dadz', value=2.6585)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='B3LYP', mode='unCP', basis='dadz', value=1.4625)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='B3LYP', mode='unCP', basis='dadz', value=-2.0344)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='B3LYP', mode='unCP', basis='dadz', value=3.1982)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='B3LYP', mode='unCP', basis='dadz', value=-0.4045)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='B3LYP', mode='unCP', basis='dadz', value=-1.0159)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='B3LYP', mode='unCP', basis='dadz', value=-1.6178)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='B3LYP', mode='unCP', basis='dadz', value=-0.5754)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='B3LYP', mode='unCP', basis='dadz', value=-2.4486)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='B3LYP', mode='unCP', basis='dadz', value=0.0804)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='B3LYP', mode='unCP', basis='dadz', value=-1.7060)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='B3LYP', mode='unCP', basis='dadz', value=-3.9095)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='B3LYP', mode='CP', basis='dadz', value=-2.1095)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='B3LYP', mode='CP', basis='dadz', value=-4.4312)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='B3LYP', mode='CP', basis='dadz', value=-17.0901)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='B3LYP', mode='CP', basis='dadz', value=-13.8562)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='B3LYP', mode='CP', basis='dadz', value=-17.7533)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='B3LYP', mode='CP', basis='dadz', value=-13.6807)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='B3LYP', mode='CP', basis='dadz', value=-12.7704)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='B3LYP', mode='CP', basis='dadz', value=0.4038)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='B3LYP', mode='CP', basis='dadz', value=0.4791)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='B3LYP', mode='CP', basis='dadz', value=0.8203)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='B3LYP', mode='CP', basis='dadz', value=3.8205)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='B3LYP', mode='CP', basis='dadz', value=2.5591)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='B3LYP', mode='CP', basis='dadz', value=-0.7928)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='B3LYP', mode='CP', basis='dadz', value=4.7564)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='B3LYP', mode='CP', basis='dadz', value=1.4387)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='B3LYP', mode='CP', basis='dadz', value=-0.6135)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='B3LYP', mode='CP', basis='dadz', value=-1.1265)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='B3LYP', mode='CP', basis='dadz', value=-0.0460)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='B3LYP', mode='CP', basis='dadz', value=-1.8181)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='B3LYP', mode='CP', basis='dadz', value=1.0629)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='B3LYP', mode='CP', basis='dadz', value=-0.3585)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='B3LYP', mode='CP', basis='dadz', value=-2.8917)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='B3LYP', mode='unCP', basis='datz', value=-2.2033)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='B3LYP', mode='unCP', basis='datz', value=-4.5547)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='B3LYP', mode='unCP', basis='datz', value=-17.6159)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='B3LYP', mode='unCP', basis='datz', value=-14.2112)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='B3LYP', mode='unCP', basis='datz', value=-18.2727)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='B3LYP', mode='unCP', basis='datz', value=-14.0313)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='B3LYP', mode='unCP', basis='datz', value=-13.1287)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='B3LYP', mode='unCP', basis='datz', value=0.3625)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='B3LYP', mode='unCP', basis='datz', value=0.4302)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='B3LYP', mode='unCP', basis='datz', value=0.6862)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='B3LYP', mode='unCP', basis='datz', value=3.4772)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='B3LYP', mode='unCP', basis='datz', value=2.1942)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='B3LYP', mode='unCP', basis='datz', value=-1.4066)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='B3LYP', mode='unCP', basis='datz', value=4.3036)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='B3LYP', mode='unCP', basis='datz', value=0.7125)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='B3LYP', mode='unCP', basis='datz', value=-0.7448)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='B3LYP', mode='unCP', basis='datz', value=-1.3334)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='B3LYP', mode='unCP', basis='datz', value=-0.2190)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='B3LYP', mode='unCP', basis='datz', value=-2.1415)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='B3LYP', mode='unCP', basis='datz', value=0.8165)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='B3LYP', mode='unCP', basis='datz', value=-0.7805)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='B3LYP', mode='unCP', basis='datz', value=-3.1769)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='B3LYP', mode='CP', basis='datz', value=-2.1823)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='B3LYP', mode='CP', basis='datz', value=-4.4763)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='B3LYP', mode='CP', basis='datz', value=-17.3400)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='B3LYP', mode='CP', basis='datz', value=-13.9863)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='B3LYP', mode='CP', basis='datz', value=-17.9238)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='B3LYP', mode='CP', basis='datz', value=-13.7661)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='B3LYP', mode='CP', basis='datz', value=-12.7975)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='B3LYP', mode='CP', basis='datz', value=0.3810)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='B3LYP', mode='CP', basis='datz', value=0.4910)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='B3LYP', mode='CP', basis='datz', value=0.7662)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='B3LYP', mode='CP', basis='datz', value=3.6813)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='B3LYP', mode='CP', basis='datz', value=2.4327)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='B3LYP', mode='CP', basis='datz', value=-0.9541)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='B3LYP', mode='CP', basis='datz', value=4.5934)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='B3LYP', mode='CP', basis='datz', value=1.2686)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='B3LYP', mode='CP', basis='datz', value=-0.6611)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='B3LYP', mode='CP', basis='datz', value=-1.2070)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='B3LYP', mode='CP', basis='datz', value=-0.1133)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='B3LYP', mode='CP', basis='datz', value=-1.9807)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='B3LYP', mode='CP', basis='datz', value=0.9905)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='B3LYP', mode='CP', basis='datz', value=-0.5536)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='B3LYP', mode='CP', basis='datz', value=-2.9393)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='B3LYP', mode='unCP', basis='dz', value=-5.0021)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='B3LYP', mode='unCP', basis='dz', value=-8.0825)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='B3LYP', mode='unCP', basis='dz', value=-22.9997)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='B3LYP', mode='unCP', basis='dz', value=-18.9270)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='B3LYP', mode='unCP', basis='dz', value=-21.7640)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='B3LYP', mode='unCP', basis='dz', value=-18.1080)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='B3LYP', mode='unCP', basis='dz', value=-17.7271)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='B3LYP', mode='unCP', basis='dz', value=0.2051)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='B3LYP', mode='unCP', basis='dz', value=-0.1873)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='B3LYP', mode='unCP', basis='dz', value=0.4098)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='B3LYP', mode='unCP', basis='dz', value=2.7546)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='B3LYP', mode='unCP', basis='dz', value=1.0999)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='B3LYP', mode='unCP', basis='dz', value=-3.9154)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='B3LYP', mode='unCP', basis='dz', value=3.1601)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='B3LYP', mode='unCP', basis='dz', value=-2.6249)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='B3LYP', mode='unCP', basis='dz', value=-1.2110)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='B3LYP', mode='unCP', basis='dz', value=-2.3401)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='B3LYP', mode='unCP', basis='dz', value=-0.7237)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='B3LYP', mode='unCP', basis='dz', value=-2.4502)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='B3LYP', mode='unCP', basis='dz', value=0.2500)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='B3LYP', mode='unCP', basis='dz', value=-1.8107)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='B3LYP', mode='unCP', basis='dz', value=-6.3591)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='B3LYP', mode='CP', basis='dz', value=-2.0145)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='B3LYP', mode='CP', basis='dz', value=-4.5181)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='B3LYP', mode='CP', basis='dz', value=-17.0576)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='B3LYP', mode='CP', basis='dz', value=-13.4145)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='B3LYP', mode='CP', basis='dz', value=-17.4023)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='B3LYP', mode='CP', basis='dz', value=-13.7349)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='B3LYP', mode='CP', basis='dz', value=-12.6007)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='B3LYP', mode='CP', basis='dz', value=0.3762)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='B3LYP', mode='CP', basis='dz', value=0.5211)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='B3LYP', mode='CP', basis='dz', value=0.8141)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='B3LYP', mode='CP', basis='dz', value=4.0213)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='B3LYP', mode='CP', basis='dz', value=2.8252)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='B3LYP', mode='CP', basis='dz', value=-0.3657)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='B3LYP', mode='CP', basis='dz', value=5.0694)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='B3LYP', mode='CP', basis='dz', value=1.9420)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='B3LYP', mode='CP', basis='dz', value=-0.7849)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='B3LYP', mode='CP', basis='dz', value=-1.1516)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='B3LYP', mode='CP', basis='dz', value=-0.0731)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='B3LYP', mode='CP', basis='dz', value=-1.8959)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='B3LYP', mode='CP', basis='dz', value=0.9460)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='B3LYP', mode='CP', basis='dz', value=-0.6774)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='B3LYP', mode='CP', basis='dz', value=-3.0227)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='B3LYP', mode='unCP', basis='tz', value=-3.5031)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='B3LYP', mode='unCP', basis='tz', value=-6.0508)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='B3LYP', mode='unCP', basis='tz', value=-19.0281)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='B3LYP', mode='unCP', basis='tz', value=-15.4783)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='B3LYP', mode='unCP', basis='tz', value=-18.9492)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='B3LYP', mode='unCP', basis='tz', value=-15.1071)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='B3LYP', mode='unCP', basis='tz', value=-14.2487)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='B3LYP', mode='unCP', basis='tz', value=0.3601)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='B3LYP', mode='unCP', basis='tz', value=0.2887)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='B3LYP', mode='unCP', basis='tz', value=0.6276)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='B3LYP', mode='unCP', basis='tz', value=3.2777)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='B3LYP', mode='unCP', basis='tz', value=1.8780)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='B3LYP', mode='unCP', basis='tz', value=-2.2324)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='B3LYP', mode='unCP', basis='tz', value=3.9191)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='B3LYP', mode='unCP', basis='tz', value=-0.3763)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='B3LYP', mode='unCP', basis='tz', value=-0.8450)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='B3LYP', mode='unCP', basis='tz', value=-2.2279)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='B3LYP', mode='unCP', basis='tz', value=-0.6247)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='B3LYP', mode='unCP', basis='tz', value=-2.2564)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='B3LYP', mode='unCP', basis='tz', value=0.6826)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='B3LYP', mode='unCP', basis='tz', value=-1.1962)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='B3LYP', mode='unCP', basis='tz', value=-4.1382)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='B3LYP', mode='CP', basis='tz', value=-2.2871)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='B3LYP', mode='CP', basis='tz', value=-4.5030)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='B3LYP', mode='CP', basis='tz', value=-17.4618)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='B3LYP', mode='CP', basis='tz', value=-13.9997)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='B3LYP', mode='CP', basis='tz', value=-17.8282)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='B3LYP', mode='CP', basis='tz', value=-13.8094)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='B3LYP', mode='CP', basis='tz', value=-12.8122)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='B3LYP', mode='CP', basis='tz', value=0.3833)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='B3LYP', mode='CP', basis='tz', value=0.4726)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='B3LYP', mode='CP', basis='tz', value=0.7454)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='B3LYP', mode='CP', basis='tz', value=3.7467)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='B3LYP', mode='CP', basis='tz', value=2.5231)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='B3LYP', mode='CP', basis='tz', value=-0.8946)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='B3LYP', mode='CP', basis='tz', value=4.7050)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='B3LYP', mode='CP', basis='tz', value=1.3957)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='B3LYP', mode='CP', basis='tz', value=-0.7057)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='B3LYP', mode='CP', basis='tz', value=-1.1923)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='B3LYP', mode='CP', basis='tz', value=-0.1070)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='B3LYP', mode='CP', basis='tz', value=-2.1033)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='B3LYP', mode='CP', basis='tz', value=0.9362)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='B3LYP', mode='CP', basis='tz', value=-0.6539)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='B3LYP', mode='CP', basis='tz', value=-2.9521)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='B3LYP', mode='unCP', basis='hadz', value=-2.2563)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='B3LYP', mode='unCP', basis='hadz', value=-4.9261)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='B3LYP', mode='unCP', basis='hadz', value=-17.6057)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='B3LYP', mode='unCP', basis='hadz', value=-14.3920)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='B3LYP', mode='unCP', basis='hadz', value=-18.4765)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='B3LYP', mode='unCP', basis='hadz', value=-14.3885)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='B3LYP', mode='unCP', basis='hadz', value=-13.5516)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='B3LYP', mode='unCP', basis='hadz', value=0.2282)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='B3LYP', mode='unCP', basis='hadz', value=0.2907)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='B3LYP', mode='unCP', basis='hadz', value=0.5788)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='B3LYP', mode='unCP', basis='hadz', value=3.1344)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='B3LYP', mode='unCP', basis='hadz', value=1.7965)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='B3LYP', mode='unCP', basis='hadz', value=-1.9344)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='B3LYP', mode='unCP', basis='hadz', value=3.6530)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='B3LYP', mode='unCP', basis='hadz', value=-0.1738)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='B3LYP', mode='unCP', basis='hadz', value=-0.8041)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='B3LYP', mode='unCP', basis='hadz', value=-1.6273)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='B3LYP', mode='unCP', basis='hadz', value=-0.3348)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='B3LYP', mode='unCP', basis='hadz', value=-2.1520)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='B3LYP', mode='unCP', basis='hadz', value=0.5183)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='B3LYP', mode='unCP', basis='hadz', value=-1.0289)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='B3LYP', mode='unCP', basis='hadz', value=-3.5103)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='B3LYP', mode='CP', basis='hadz', value=-2.0564)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='B3LYP', mode='CP', basis='hadz', value=-4.5281)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='B3LYP', mode='CP', basis='hadz', value=-17.0207)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='B3LYP', mode='CP', basis='hadz', value=-13.8009)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='B3LYP', mode='CP', basis='hadz', value=-17.7030)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='B3LYP', mode='CP', basis='hadz', value=-13.6542)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='B3LYP', mode='CP', basis='hadz', value=-12.7358)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='B3LYP', mode='CP', basis='hadz', value=0.3948)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='B3LYP', mode='CP', basis='hadz', value=0.5642)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='B3LYP', mode='CP', basis='hadz', value=0.7982)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='B3LYP', mode='CP', basis='hadz', value=3.7997)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='B3LYP', mode='CP', basis='hadz', value=2.5457)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='B3LYP', mode='CP', basis='hadz', value=-0.7887)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='B3LYP', mode='CP', basis='hadz', value=4.7321)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='B3LYP', mode='CP', basis='hadz', value=1.3882)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='B3LYP', mode='CP', basis='hadz', value=-0.6005)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='B3LYP', mode='CP', basis='hadz', value=-1.2179)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='B3LYP', mode='CP', basis='hadz', value=-0.0987)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='B3LYP', mode='CP', basis='hadz', value=-1.7924)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='B3LYP', mode='CP', basis='hadz', value=1.0517)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='B3LYP', mode='CP', basis='hadz', value=-0.3360)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='B3LYP', mode='CP', basis='hadz', value=-2.8620)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='B3LYP', mode='unCP', basis='hatz', value=-2.2314)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='B3LYP', mode='unCP', basis='hatz', value=-4.5654)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='B3LYP', mode='unCP', basis='hatz', value=-17.4877)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='B3LYP', mode='unCP', basis='hatz', value=-14.1062)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='B3LYP', mode='unCP', basis='hatz', value=-18.1192)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='B3LYP', mode='unCP', basis='hatz', value=-13.9649)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='B3LYP', mode='unCP', basis='hatz', value=-13.0809)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='B3LYP', mode='unCP', basis='hatz', value=0.3628)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='B3LYP', mode='unCP', basis='hatz', value=0.4585)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='B3LYP', mode='unCP', basis='hatz', value=0.7235)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='B3LYP', mode='unCP', basis='hatz', value=3.5462)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='B3LYP', mode='unCP', basis='hatz', value=2.2521)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='B3LYP', mode='unCP', basis='hatz', value=-1.2908)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='B3LYP', mode='unCP', basis='hatz', value=4.3538)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='B3LYP', mode='unCP', basis='hatz', value=0.8207)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='B3LYP', mode='unCP', basis='hatz', value=-0.7170)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='B3LYP', mode='unCP', basis='hatz', value=-1.3250)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='B3LYP', mode='unCP', basis='hatz', value=-0.1623)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='B3LYP', mode='unCP', basis='hatz', value=-2.0810)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='B3LYP', mode='unCP', basis='hatz', value=0.8664)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='B3LYP', mode='unCP', basis='hatz', value=-0.7272)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='B3LYP', mode='unCP', basis='hatz', value=-3.1173)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='B3LYP', mode='CP', basis='hatz', value=-2.1775)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='B3LYP', mode='CP', basis='hatz', value=-4.4843)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='B3LYP', mode='CP', basis='hatz', value=-17.3075)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='B3LYP', mode='CP', basis='hatz', value=-13.9656)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='B3LYP', mode='CP', basis='hatz', value=-17.8980)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='B3LYP', mode='CP', basis='hatz', value=-13.7514)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='B3LYP', mode='CP', basis='hatz', value=-12.8282)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='B3LYP', mode='CP', basis='hatz', value=0.3805)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='B3LYP', mode='CP', basis='hatz', value=0.4990)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='B3LYP', mode='CP', basis='hatz', value=0.7804)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='B3LYP', mode='CP', basis='hatz', value=3.7015)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='B3LYP', mode='CP', basis='hatz', value=2.4524)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='B3LYP', mode='CP', basis='hatz', value=-0.9440)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='B3LYP', mode='CP', basis='hatz', value=4.6153)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='B3LYP', mode='CP', basis='hatz', value=1.2817)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='B3LYP', mode='CP', basis='hatz', value=-0.6581)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='B3LYP', mode='CP', basis='hatz', value=-1.1852)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='B3LYP', mode='CP', basis='hatz', value=-0.0933)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='B3LYP', mode='CP', basis='hatz', value=-1.9755)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='B3LYP', mode='CP', basis='hatz', value=0.9866)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='B3LYP', mode='CP', basis='hatz', value=-0.5337)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='B3LYP', mode='CP', basis='hatz', value=-2.9278)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='B3LYP', mode='unCP', basis='6311pg_3df_2p_', value=-2.2631)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='B3LYP', mode='unCP', basis='6311pg_3df_2p_', value=-4.8209)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='B3LYP', mode='unCP', basis='6311pg_3df_2p_', value=-17.7327)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='B3LYP', mode='unCP', basis='6311pg_3df_2p_', value=-14.2353)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='B3LYP', mode='unCP', basis='6311pg_3df_2p_', value=-18.1385)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='B3LYP', mode='unCP', basis='6311pg_3df_2p_', value=-13.9550)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='B3LYP', mode='unCP', basis='6311pg_3df_2p_', value=-13.0521)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='B3LYP', mode='unCP', basis='6311pg_3df_2p_', value=0.3845)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='B3LYP', mode='unCP', basis='6311pg_3df_2p_', value=0.4441)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='B3LYP', mode='unCP', basis='6311pg_3df_2p_', value=0.5625)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='B3LYP', mode='unCP', basis='6311pg_3df_2p_', value=3.0930)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='B3LYP', mode='unCP', basis='6311pg_3df_2p_', value=2.0395)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='B3LYP', mode='unCP', basis='6311pg_3df_2p_', value=-1.8376)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='B3LYP', mode='unCP', basis='6311pg_3df_2p_', value=3.7858)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='B3LYP', mode='unCP', basis='6311pg_3df_2p_', value=0.3259)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='B3LYP', mode='unCP', basis='6311pg_3df_2p_', value=-0.7544)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='B3LYP', mode='unCP', basis='6311pg_3df_2p_', value=-1.7009)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='B3LYP', mode='unCP', basis='6311pg_3df_2p_', value=-0.3780)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='B3LYP', mode='unCP', basis='6311pg_3df_2p_', value=-2.3855)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='B3LYP', mode='unCP', basis='6311pg_3df_2p_', value=0.5186)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='B3LYP', mode='unCP', basis='6311pg_3df_2p_', value=-1.0707)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='B3LYP', mode='unCP', basis='6311pg_3df_2p_', value=-3.3748)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='B3LYPD2', mode='unCP', basis='adz', value=-3.8412)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='B3LYPD2', mode='unCP', basis='adz', value=-5.4617)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='B3LYPD2', mode='unCP', basis='adz', value=-20.3787)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='B3LYPD2', mode='unCP', basis='adz', value=-17.4024)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='B3LYPD2', mode='unCP', basis='adz', value=-22.3122)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='B3LYPD2', mode='unCP', basis='adz', value=-18.9781)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='B3LYPD2', mode='unCP', basis='adz', value=-18.3947)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='B3LYPD2', mode='unCP', basis='adz', value=-0.8097)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='B3LYPD2', mode='unCP', basis='adz', value=-2.1908)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='B3LYPD2', mode='unCP', basis='adz', value=-1.8886)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='B3LYPD2', mode='unCP', basis='adz', value=-3.0895)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='B3LYPD2', mode='unCP', basis='adz', value=-4.9129)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='B3LYPD2', mode='unCP', basis='adz', value=-11.4354)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='B3LYPD2', mode='unCP', basis='adz', value=-5.4747)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='B3LYPD2', mode='unCP', basis='adz', value=-14.1973)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='B3LYPD2', mode='unCP', basis='adz', value=-2.0791)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='B3LYPD2', mode='unCP', basis='adz', value=-3.9610)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='B3LYPD2', mode='unCP', basis='adz', value=-2.8578)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='B3LYPD2', mode='unCP', basis='adz', value=-5.6527)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='B3LYPD2', mode='unCP', basis='adz', value=-3.6250)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='B3LYPD2', mode='unCP', basis='adz', value=-7.0979)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='B3LYPD2', mode='unCP', basis='adz', value=-7.9353)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='B3LYPD2', mode='CP', basis='adz', value=-3.5563)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='B3LYPD2', mode='CP', basis='adz', value=-5.2303)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='B3LYPD2', mode='CP', basis='adz', value=-19.7009)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='B3LYPD2', mode='CP', basis='adz', value=-16.6455)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='B3LYPD2', mode='CP', basis='adz', value=-21.2541)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='B3LYPD2', mode='CP', basis='adz', value=-17.8517)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='B3LYPD2', mode='CP', basis='adz', value=-17.2210)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='B3LYPD2', mode='CP', basis='adz', value=-0.4656)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='B3LYPD2', mode='CP', basis='adz', value=-1.7541)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='B3LYPD2', mode='CP', basis='adz', value=-1.4656)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='B3LYPD2', mode='CP', basis='adz', value=-2.1756)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='B3LYPD2', mode='CP', basis='adz', value=-3.9593)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='B3LYPD2', mode='CP', basis='adz', value=-10.2561)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='B3LYPD2', mode='CP', basis='adz', value=-4.1987)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='B3LYPD2', mode='CP', basis='adz', value=-12.4512)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='B3LYPD2', mode='CP', basis='adz', value=-1.6606)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='B3LYPD2', mode='CP', basis='adz', value=-3.5886)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='B3LYPD2', mode='CP', basis='adz', value=-2.4372)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='B3LYPD2', mode='CP', basis='adz', value=-5.0627)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='B3LYPD2', mode='CP', basis='adz', value=-2.7635)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='B3LYPD2', mode='CP', basis='adz', value=-5.9145)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='B3LYPD2', mode='CP', basis='adz', value=-7.1636)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='B3LYPD2', mode='unCP', basis='atz', value=-3.6567)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='B3LYPD2', mode='unCP', basis='atz', value=-5.3373)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='B3LYPD2', mode='unCP', basis='atz', value=-20.2224)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='B3LYPD2', mode='unCP', basis='atz', value=-16.9620)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='B3LYPD2', mode='unCP', basis='atz', value=-21.7335)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='B3LYPD2', mode='unCP', basis='atz', value=-18.2084)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='B3LYPD2', mode='unCP', basis='atz', value=-17.6322)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='B3LYPD2', mode='unCP', basis='atz', value=-0.5062)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='B3LYPD2', mode='unCP', basis='atz', value=-1.8164)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='B3LYPD2', mode='unCP', basis='atz', value=-1.6079)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='B3LYPD2', mode='unCP', basis='atz', value=-2.4855)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='B3LYPD2', mode='unCP', basis='atz', value=-4.2903)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='B3LYPD2', mode='unCP', basis='atz', value=-10.7943)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='B3LYPD2', mode='unCP', basis='atz', value=-4.6331)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='B3LYPD2', mode='unCP', basis='atz', value=-13.0797)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='B3LYPD2', mode='unCP', basis='atz', value=-1.7874)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='B3LYPD2', mode='unCP', basis='atz', value=-3.7595)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='B3LYPD2', mode='unCP', basis='atz', value=-2.5904)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='B3LYPD2', mode='unCP', basis='atz', value=-5.3947)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='B3LYPD2', mode='unCP', basis='atz', value=-3.0204)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='B3LYPD2', mode='unCP', basis='atz', value=-6.3716)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='B3LYPD2', mode='unCP', basis='atz', value=-7.4572)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='B3LYPD2', mode='CP', basis='atz', value=-3.6344)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='B3LYPD2', mode='CP', basis='atz', value=-5.2833)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='B3LYPD2', mode='CP', basis='atz', value=-19.9665)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='B3LYPD2', mode='CP', basis='atz', value=-16.7662)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='B3LYPD2', mode='CP', basis='atz', value=-21.4045)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='B3LYPD2', mode='CP', basis='atz', value=-17.9344)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='B3LYPD2', mode='CP', basis='atz', value=-17.2867)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='B3LYPD2', mode='CP', basis='atz', value=-0.4873)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='B3LYPD2', mode='CP', basis='atz', value=-1.7528)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='B3LYPD2', mode='CP', basis='atz', value=-1.5170)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='B3LYPD2', mode='CP', basis='atz', value=-2.3067)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='B3LYPD2', mode='CP', basis='atz', value=-4.0754)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='B3LYPD2', mode='CP', basis='atz', value=-10.4179)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='B3LYPD2', mode='CP', basis='atz', value=-4.3534)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='B3LYPD2', mode='CP', basis='atz', value=-12.6108)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='B3LYPD2', mode='CP', basis='atz', value=-1.7054)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='B3LYPD2', mode='CP', basis='atz', value=-3.6522)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='B3LYPD2', mode='CP', basis='atz', value=-2.4982)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='B3LYPD2', mode='CP', basis='atz', value=-5.2352)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='B3LYPD2', mode='CP', basis='atz', value=-2.8518)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='B3LYPD2', mode='CP', basis='atz', value=-6.1117)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='B3LYPD2', mode='CP', basis='atz', value=-7.2298)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='B3LYPD2', mode='unCP', basis='dadz', value=-3.8322)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='B3LYPD2', mode='unCP', basis='dadz', value=-5.5116)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='B3LYPD2', mode='unCP', basis='dadz', value=-20.5586)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='B3LYPD2', mode='unCP', basis='dadz', value=-17.6481)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='B3LYPD2', mode='unCP', basis='dadz', value=-22.4313)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='B3LYPD2', mode='unCP', basis='dadz', value=-19.1252)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='B3LYPD2', mode='unCP', basis='dadz', value=-18.6255)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='B3LYPD2', mode='unCP', basis='dadz', value=-0.8406)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='B3LYPD2', mode='unCP', basis='dadz', value=-2.3379)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='B3LYPD2', mode='unCP', basis='dadz', value=-1.9938)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='B3LYPD2', mode='unCP', basis='dadz', value=-3.3448)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='B3LYPD2', mode='unCP', basis='dadz', value=-5.0575)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='B3LYPD2', mode='unCP', basis='dadz', value=-11.4999)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='B3LYPD2', mode='unCP', basis='dadz', value=-5.7616)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='B3LYPD2', mode='unCP', basis='dadz', value=-14.2862)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='B3LYPD2', mode='unCP', basis='dadz', value=-2.0621)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='B3LYPD2', mode='unCP', basis='dadz', value=-4.0736)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='B3LYPD2', mode='unCP', basis='dadz', value=-2.9679)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='B3LYPD2', mode='unCP', basis='dadz', value=-5.6991)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='B3LYPD2', mode='unCP', basis='dadz', value=-3.7503)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='B3LYPD2', mode='unCP', basis='dadz', value=-7.2722)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='B3LYPD2', mode='unCP', basis='dadz', value=-8.1985)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='B3LYPD2', mode='CP', basis='dadz', value=-3.5651)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='B3LYPD2', mode='CP', basis='dadz', value=-5.2459)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='B3LYPD2', mode='CP', basis='dadz', value=-19.7308)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='B3LYPD2', mode='CP', basis='dadz', value=-16.6462)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='B3LYPD2', mode='CP', basis='dadz', value=-21.2542)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='B3LYPD2', mode='CP', basis='dadz', value=-17.8520)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='B3LYPD2', mode='CP', basis='dadz', value=-17.2202)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='B3LYPD2', mode='CP', basis='dadz', value=-0.4643)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='B3LYPD2', mode='CP', basis='dadz', value=-1.7656)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='B3LYPD2', mode='CP', basis='dadz', value=-1.4690)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='B3LYPD2', mode='CP', basis='dadz', value=-2.1828)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='B3LYPD2', mode='CP', basis='dadz', value=-3.9609)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='B3LYPD2', mode='CP', basis='dadz', value=-10.2583)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='B3LYPD2', mode='CP', basis='dadz', value=-4.2035)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='B3LYPD2', mode='CP', basis='dadz', value=-12.4430)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='B3LYPD2', mode='CP', basis='dadz', value=-1.6596)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='B3LYPD2', mode='CP', basis='dadz', value=-3.5823)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='B3LYPD2', mode='CP', basis='dadz', value=-2.4386)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='B3LYPD2', mode='CP', basis='dadz', value=-5.0687)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='B3LYPD2', mode='CP', basis='dadz', value=-2.7678)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='B3LYPD2', mode='CP', basis='dadz', value=-5.9246)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='B3LYPD2', mode='CP', basis='dadz', value=-7.1807)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='B3LYPD2', mode='unCP', basis='datz', value=-3.6589)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='B3LYPD2', mode='unCP', basis='datz', value=-5.3694)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='B3LYPD2', mode='unCP', basis='datz', value=-20.2566)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='B3LYPD2', mode='unCP', basis='datz', value=-17.0012)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='B3LYPD2', mode='unCP', basis='datz', value=-21.7736)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='B3LYPD2', mode='unCP', basis='datz', value=-18.2025)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='B3LYPD2', mode='unCP', basis='datz', value=-17.5785)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='B3LYPD2', mode='unCP', basis='datz', value=-0.5055)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='B3LYPD2', mode='unCP', basis='datz', value=-1.8146)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='B3LYPD2', mode='unCP', basis='datz', value=-1.6031)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='B3LYPD2', mode='unCP', basis='datz', value=-2.5261)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='B3LYPD2', mode='unCP', basis='datz', value=-4.3257)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='B3LYPD2', mode='unCP', basis='datz', value=-10.8720)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='B3LYPD2', mode='unCP', basis='datz', value=-4.6562)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='B3LYPD2', mode='unCP', basis='datz', value=-13.1691)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='B3LYPD2', mode='unCP', basis='datz', value=-1.7909)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='B3LYPD2', mode='unCP', basis='datz', value=-3.7893)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='B3LYPD2', mode='unCP', basis='datz', value=-2.6116)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='B3LYPD2', mode='unCP', basis='datz', value=-5.3920)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='B3LYPD2', mode='unCP', basis='datz', value=-3.0142)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='B3LYPD2', mode='unCP', basis='datz', value=-6.3466)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='B3LYPD2', mode='unCP', basis='datz', value=-7.4659)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='B3LYPD2', mode='CP', basis='datz', value=-3.6378)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='B3LYPD2', mode='CP', basis='datz', value=-5.2910)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='B3LYPD2', mode='CP', basis='datz', value=-19.9807)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='B3LYPD2', mode='CP', basis='datz', value=-16.7763)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='B3LYPD2', mode='CP', basis='datz', value=-21.4247)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='B3LYPD2', mode='CP', basis='datz', value=-17.9373)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='B3LYPD2', mode='CP', basis='datz', value=-17.2473)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='B3LYPD2', mode='CP', basis='datz', value=-0.4870)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='B3LYPD2', mode='CP', basis='datz', value=-1.7538)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='B3LYPD2', mode='CP', basis='datz', value=-1.5231)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='B3LYPD2', mode='CP', basis='datz', value=-2.3220)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='B3LYPD2', mode='CP', basis='datz', value=-4.0873)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='B3LYPD2', mode='CP', basis='datz', value=-10.4196)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='B3LYPD2', mode='CP', basis='datz', value=-4.3664)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='B3LYPD2', mode='CP', basis='datz', value=-12.6131)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='B3LYPD2', mode='CP', basis='datz', value=-1.7073)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='B3LYPD2', mode='CP', basis='datz', value=-3.6629)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='B3LYPD2', mode='CP', basis='datz', value=-2.5059)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='B3LYPD2', mode='CP', basis='datz', value=-5.2313)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='B3LYPD2', mode='CP', basis='datz', value=-2.8402)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='B3LYPD2', mode='CP', basis='datz', value=-6.1198)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='B3LYPD2', mode='CP', basis='datz', value=-7.2284)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='B3LYPD2', mode='unCP', basis='dz', value=-6.4577)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='B3LYPD2', mode='unCP', basis='dz', value=-8.8972)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='B3LYPD2', mode='unCP', basis='dz', value=-25.6404)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='B3LYPD2', mode='unCP', basis='dz', value=-21.7170)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='B3LYPD2', mode='unCP', basis='dz', value=-25.2649)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='B3LYPD2', mode='unCP', basis='dz', value=-22.2793)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='B3LYPD2', mode='unCP', basis='dz', value=-22.1769)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='B3LYPD2', mode='unCP', basis='dz', value=-0.6630)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='B3LYPD2', mode='unCP', basis='dz', value=-2.4321)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='B3LYPD2', mode='unCP', basis='dz', value=-1.8795)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='B3LYPD2', mode='unCP', basis='dz', value=-3.2487)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='B3LYPD2', mode='unCP', basis='dz', value=-5.4201)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='B3LYPD2', mode='unCP', basis='dz', value=-13.3808)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='B3LYPD2', mode='unCP', basis='dz', value=-5.7997)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='B3LYPD2', mode='unCP', basis='dz', value=-16.5066)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='B3LYPD2', mode='unCP', basis='dz', value=-2.2572)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='B3LYPD2', mode='unCP', basis='dz', value=-4.7960)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='B3LYPD2', mode='unCP', basis='dz', value=-3.1162)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='B3LYPD2', mode='unCP', basis='dz', value=-5.7007)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='B3LYPD2', mode='unCP', basis='dz', value=-3.5808)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='B3LYPD2', mode='unCP', basis='dz', value=-7.3769)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='B3LYPD2', mode='unCP', basis='dz', value=-10.6481)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='B3LYPD2', mode='CP', basis='dz', value=-3.4700)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='B3LYPD2', mode='CP', basis='dz', value=-5.3328)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='B3LYPD2', mode='CP', basis='dz', value=-19.6983)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='B3LYPD2', mode='CP', basis='dz', value=-16.2045)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='B3LYPD2', mode='CP', basis='dz', value=-20.9032)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='B3LYPD2', mode='CP', basis='dz', value=-17.9062)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='B3LYPD2', mode='CP', basis='dz', value=-17.0505)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='B3LYPD2', mode='CP', basis='dz', value=-0.4918)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='B3LYPD2', mode='CP', basis='dz', value=-1.7237)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='B3LYPD2', mode='CP', basis='dz', value=-1.4751)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='B3LYPD2', mode='CP', basis='dz', value=-1.9820)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='B3LYPD2', mode='CP', basis='dz', value=-3.6948)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='B3LYPD2', mode='CP', basis='dz', value=-9.8312)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='B3LYPD2', mode='CP', basis='dz', value=-3.8904)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='B3LYPD2', mode='CP', basis='dz', value=-11.9396)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='B3LYPD2', mode='CP', basis='dz', value=-1.8311)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='B3LYPD2', mode='CP', basis='dz', value=-3.6075)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='B3LYPD2', mode='CP', basis='dz', value=-2.4657)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='B3LYPD2', mode='CP', basis='dz', value=-5.1465)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='B3LYPD2', mode='CP', basis='dz', value=-2.8848)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='B3LYPD2', mode='CP', basis='dz', value=-6.2436)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='B3LYPD2', mode='CP', basis='dz', value=-7.3118)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='B3LYPD2', mode='unCP', basis='tz', value=-4.9587)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='B3LYPD2', mode='unCP', basis='tz', value=-6.8655)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='B3LYPD2', mode='unCP', basis='tz', value=-21.6688)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='B3LYPD2', mode='unCP', basis='tz', value=-18.2683)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='B3LYPD2', mode='unCP', basis='tz', value=-22.4502)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='B3LYPD2', mode='unCP', basis='tz', value=-19.2783)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='B3LYPD2', mode='unCP', basis='tz', value=-18.6984)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='B3LYPD2', mode='unCP', basis='tz', value=-0.5080)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='B3LYPD2', mode='unCP', basis='tz', value=-1.9561)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='B3LYPD2', mode='unCP', basis='tz', value=-1.6617)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='B3LYPD2', mode='unCP', basis='tz', value=-2.7255)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='B3LYPD2', mode='unCP', basis='tz', value=-4.6420)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='B3LYPD2', mode='unCP', basis='tz', value=-11.6978)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='B3LYPD2', mode='unCP', basis='tz', value=-5.0408)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='B3LYPD2', mode='unCP', basis='tz', value=-14.2579)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='B3LYPD2', mode='unCP', basis='tz', value=-1.8912)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='B3LYPD2', mode='unCP', basis='tz', value=-4.6838)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='B3LYPD2', mode='unCP', basis='tz', value=-3.0172)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='B3LYPD2', mode='unCP', basis='tz', value=-5.5069)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='B3LYPD2', mode='unCP', basis='tz', value=-3.1482)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='B3LYPD2', mode='unCP', basis='tz', value=-6.7623)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='B3LYPD2', mode='unCP', basis='tz', value=-8.4272)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='B3LYPD2', mode='CP', basis='tz', value=-3.7426)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='B3LYPD2', mode='CP', basis='tz', value=-5.3177)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='B3LYPD2', mode='CP', basis='tz', value=-20.1025)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='B3LYPD2', mode='CP', basis='tz', value=-16.7897)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='B3LYPD2', mode='CP', basis='tz', value=-21.3291)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='B3LYPD2', mode='CP', basis='tz', value=-17.9807)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='B3LYPD2', mode='CP', basis='tz', value=-17.2620)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='B3LYPD2', mode='CP', basis='tz', value=-0.4847)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='B3LYPD2', mode='CP', basis='tz', value=-1.7722)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='B3LYPD2', mode='CP', basis='tz', value=-1.5439)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='B3LYPD2', mode='CP', basis='tz', value=-2.2565)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='B3LYPD2', mode='CP', basis='tz', value=-3.9969)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='B3LYPD2', mode='CP', basis='tz', value=-10.3601)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='B3LYPD2', mode='CP', basis='tz', value=-4.2548)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='B3LYPD2', mode='CP', basis='tz', value=-12.4860)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='B3LYPD2', mode='CP', basis='tz', value=-1.7519)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='B3LYPD2', mode='CP', basis='tz', value=-3.6482)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='B3LYPD2', mode='CP', basis='tz', value=-2.4996)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='B3LYPD2', mode='CP', basis='tz', value=-5.3539)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='B3LYPD2', mode='CP', basis='tz', value=-2.8946)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='B3LYPD2', mode='CP', basis='tz', value=-6.2200)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='B3LYPD2', mode='CP', basis='tz', value=-7.2412)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='B3LYPD2', mode='unCP', basis='hadz', value=-3.7118)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='B3LYPD2', mode='unCP', basis='hadz', value=-5.7408)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='B3LYPD2', mode='unCP', basis='hadz', value=-20.2465)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='B3LYPD2', mode='unCP', basis='hadz', value=-17.1820)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='B3LYPD2', mode='unCP', basis='hadz', value=-21.9774)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='B3LYPD2', mode='unCP', basis='hadz', value=-18.5598)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='B3LYPD2', mode='unCP', basis='hadz', value=-18.0014)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='B3LYPD2', mode='unCP', basis='hadz', value=-0.6399)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='B3LYPD2', mode='unCP', basis='hadz', value=-1.9541)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='B3LYPD2', mode='unCP', basis='hadz', value=-1.7105)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='B3LYPD2', mode='unCP', basis='hadz', value=-2.8689)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='B3LYPD2', mode='unCP', basis='hadz', value=-4.7235)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='B3LYPD2', mode='unCP', basis='hadz', value=-11.3998)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='B3LYPD2', mode='unCP', basis='hadz', value=-5.3068)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='B3LYPD2', mode='unCP', basis='hadz', value=-14.0555)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='B3LYPD2', mode='unCP', basis='hadz', value=-1.8503)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='B3LYPD2', mode='unCP', basis='hadz', value=-4.0832)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='B3LYPD2', mode='unCP', basis='hadz', value=-2.7274)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='B3LYPD2', mode='unCP', basis='hadz', value=-5.4025)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='B3LYPD2', mode='unCP', basis='hadz', value=-3.3125)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='B3LYPD2', mode='unCP', basis='hadz', value=-6.5951)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='B3LYPD2', mode='unCP', basis='hadz', value=-7.7993)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='B3LYPD2', mode='CP', basis='hadz', value=-3.5119)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='B3LYPD2', mode='CP', basis='hadz', value=-5.3428)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='B3LYPD2', mode='CP', basis='hadz', value=-19.6614)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='B3LYPD2', mode='CP', basis='hadz', value=-16.5909)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='B3LYPD2', mode='CP', basis='hadz', value=-21.2039)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='B3LYPD2', mode='CP', basis='hadz', value=-17.8255)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='B3LYPD2', mode='CP', basis='hadz', value=-17.1856)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='B3LYPD2', mode='CP', basis='hadz', value=-0.4732)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='B3LYPD2', mode='CP', basis='hadz', value=-1.6806)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='B3LYPD2', mode='CP', basis='hadz', value=-1.4911)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='B3LYPD2', mode='CP', basis='hadz', value=-2.2035)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='B3LYPD2', mode='CP', basis='hadz', value=-3.9743)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='B3LYPD2', mode='CP', basis='hadz', value=-10.2541)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='B3LYPD2', mode='CP', basis='hadz', value=-4.2277)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='B3LYPD2', mode='CP', basis='hadz', value=-12.4935)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='B3LYPD2', mode='CP', basis='hadz', value=-1.6467)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='B3LYPD2', mode='CP', basis='hadz', value=-3.6738)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='B3LYPD2', mode='CP', basis='hadz', value=-2.4913)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='B3LYPD2', mode='CP', basis='hadz', value=-5.0429)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='B3LYPD2', mode='CP', basis='hadz', value=-2.7791)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='B3LYPD2', mode='CP', basis='hadz', value=-5.9022)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='B3LYPD2', mode='CP', basis='hadz', value=-7.1510)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='B3LYPD2', mode='unCP', basis='hatz', value=-3.6869)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='B3LYPD2', mode='unCP', basis='hatz', value=-5.3801)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='B3LYPD2', mode='unCP', basis='hatz', value=-20.1284)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='B3LYPD2', mode='unCP', basis='hatz', value=-16.8962)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='B3LYPD2', mode='unCP', basis='hatz', value=-21.6201)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='B3LYPD2', mode='unCP', basis='hatz', value=-18.1361)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='B3LYPD2', mode='unCP', basis='hatz', value=-17.5307)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='B3LYPD2', mode='unCP', basis='hatz', value=-0.5053)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='B3LYPD2', mode='unCP', basis='hatz', value=-1.7862)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='B3LYPD2', mode='unCP', basis='hatz', value=-1.5658)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='B3LYPD2', mode='unCP', basis='hatz', value=-2.4570)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='B3LYPD2', mode='unCP', basis='hatz', value=-4.2679)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='B3LYPD2', mode='unCP', basis='hatz', value=-10.7562)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='B3LYPD2', mode='unCP', basis='hatz', value=-4.6060)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='B3LYPD2', mode='unCP', basis='hatz', value=-13.0610)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='B3LYPD2', mode='unCP', basis='hatz', value=-1.7632)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='B3LYPD2', mode='unCP', basis='hatz', value=-3.7809)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='B3LYPD2', mode='unCP', basis='hatz', value=-2.5549)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='B3LYPD2', mode='unCP', basis='hatz', value=-5.3315)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='B3LYPD2', mode='unCP', basis='hatz', value=-2.9644)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='B3LYPD2', mode='unCP', basis='hatz', value=-6.2934)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='B3LYPD2', mode='unCP', basis='hatz', value=-7.4063)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='B3LYPD2', mode='CP', basis='hatz', value=-3.6330)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='B3LYPD2', mode='CP', basis='hatz', value=-5.2990)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='B3LYPD2', mode='CP', basis='hatz', value=-19.9482)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='B3LYPD2', mode='CP', basis='hatz', value=-16.7556)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='B3LYPD2', mode='CP', basis='hatz', value=-21.3990)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='B3LYPD2', mode='CP', basis='hatz', value=-17.9226)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='B3LYPD2', mode='CP', basis='hatz', value=-17.2780)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='B3LYPD2', mode='CP', basis='hatz', value=-0.4875)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='B3LYPD2', mode='CP', basis='hatz', value=-1.7457)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='B3LYPD2', mode='CP', basis='hatz', value=-1.5089)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='B3LYPD2', mode='CP', basis='hatz', value=-2.3018)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='B3LYPD2', mode='CP', basis='hatz', value=-4.0676)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='B3LYPD2', mode='CP', basis='hatz', value=-10.4094)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='B3LYPD2', mode='CP', basis='hatz', value=-4.3445)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='B3LYPD2', mode='CP', basis='hatz', value=-12.6000)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='B3LYPD2', mode='CP', basis='hatz', value=-1.7043)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='B3LYPD2', mode='CP', basis='hatz', value=-3.6410)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='B3LYPD2', mode='CP', basis='hatz', value=-2.4858)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='B3LYPD2', mode='CP', basis='hatz', value=-5.2260)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='B3LYPD2', mode='CP', basis='hatz', value=-2.8442)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='B3LYPD2', mode='CP', basis='hatz', value=-6.0998)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='B3LYPD2', mode='CP', basis='hatz', value=-7.2168)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='B3LYPD2', mode='unCP', basis='6311pg_3df_2p_', value=-3.7186)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='B3LYPD2', mode='unCP', basis='6311pg_3df_2p_', value=-5.6356)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='B3LYPD2', mode='unCP', basis='6311pg_3df_2p_', value=-20.3734)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='B3LYPD2', mode='unCP', basis='6311pg_3df_2p_', value=-17.0253)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='B3LYPD2', mode='unCP', basis='6311pg_3df_2p_', value=-21.6395)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='B3LYPD2', mode='unCP', basis='6311pg_3df_2p_', value=-18.1262)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='B3LYPD2', mode='unCP', basis='6311pg_3df_2p_', value=-17.5019)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='B3LYPD2', mode='unCP', basis='6311pg_3df_2p_', value=-0.4836)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='B3LYPD2', mode='unCP', basis='6311pg_3df_2p_', value=-1.8007)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='B3LYPD2', mode='unCP', basis='6311pg_3df_2p_', value=-1.7268)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='B3LYPD2', mode='unCP', basis='6311pg_3df_2p_', value=-2.9102)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='B3LYPD2', mode='unCP', basis='6311pg_3df_2p_', value=-4.4805)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='B3LYPD2', mode='unCP', basis='6311pg_3df_2p_', value=-11.3030)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='B3LYPD2', mode='unCP', basis='6311pg_3df_2p_', value=-5.1740)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='B3LYPD2', mode='unCP', basis='6311pg_3df_2p_', value=-13.5558)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='B3LYPD2', mode='unCP', basis='6311pg_3df_2p_', value=-1.8006)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='B3LYPD2', mode='unCP', basis='6311pg_3df_2p_', value=-4.1568)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='B3LYPD2', mode='unCP', basis='6311pg_3df_2p_', value=-2.7706)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='B3LYPD2', mode='unCP', basis='6311pg_3df_2p_', value=-5.6360)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='B3LYPD2', mode='unCP', basis='6311pg_3df_2p_', value=-3.3122)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='B3LYPD2', mode='unCP', basis='6311pg_3df_2p_', value=-6.6369)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='B3LYPD2', mode='unCP', basis='6311pg_3df_2p_', value=-7.6638)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='B3LYPD3', mode='unCP', basis='adz', value=-3.3023)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='B3LYPD3', mode='unCP', basis='adz', value=-5.3867)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='B3LYPD3', mode='unCP', basis='adz', value=-20.0641)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='B3LYPD3', mode='unCP', basis='adz', value=-17.1854)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='B3LYPD3', mode='unCP', basis='adz', value=-22.1380)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='B3LYPD3', mode='unCP', basis='adz', value=-18.7129)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='B3LYPD3', mode='unCP', basis='adz', value=-18.1752)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='B3LYPD3', mode='unCP', basis='adz', value=-0.8623)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='B3LYPD3', mode='unCP', basis='adz', value=-2.0654)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='B3LYPD3', mode='unCP', basis='adz', value=-1.8452)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='B3LYPD3', mode='unCP', basis='adz', value=-3.1226)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='B3LYPD3', mode='unCP', basis='adz', value=-4.6604)
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    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='B3LYPD3', mode='unCP', basis='adz', value=-5.0631)
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    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='B3LYPD3', mode='CP', basis='dadz', value=-3.7083)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='B3LYPD3', mode='CP', basis='dadz', value=-9.9547)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='B3LYPD3', mode='CP', basis='dadz', value=-3.7918)
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    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='B3LYPD3', mode='CP', basis='dadz', value=-1.6728)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='B3LYPD3', mode='CP', basis='dadz', value=-3.4520)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='B3LYPD3', mode='CP', basis='dadz', value=-2.4017)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='B3LYPD3', mode='CP', basis='dadz', value=-4.5625)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='B3LYPD3', mode='CP', basis='dadz', value=-2.6333)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='B3LYPD3', mode='CP', basis='dadz', value=-5.2857)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='B3LYPD3', mode='CP', basis='dadz', value=-7.1441)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='B3LYPD3', mode='unCP', basis='datz', value=-3.1199)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='B3LYPD3', mode='unCP', basis='datz', value=-5.2943)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='B3LYPD3', mode='unCP', basis='datz', value=-19.9420)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='B3LYPD3', mode='unCP', basis='datz', value=-16.7843)
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    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='B3LYPD3', mode='unCP', basis='datz', value=-17.9373)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='B3LYPD3', mode='unCP', basis='datz', value=-17.3590)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='B3LYPD3', mode='unCP', basis='datz', value=-0.5582)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='B3LYPD3', mode='unCP', basis='datz', value=-1.6892)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='B3LYPD3', mode='unCP', basis='datz', value=-1.5597)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='B3LYPD3', mode='unCP', basis='datz', value=-2.5592)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='B3LYPD3', mode='unCP', basis='datz', value=-4.0732)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='B3LYPD3', mode='unCP', basis='datz', value=-10.5684)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='B3LYPD3', mode='unCP', basis='datz', value=-4.2446)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='B3LYPD3', mode='unCP', basis='datz', value=-11.7622)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='B3LYPD3', mode='unCP', basis='datz', value=-1.8042)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='B3LYPD3', mode='unCP', basis='datz', value=-3.6590)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='B3LYPD3', mode='unCP', basis='datz', value=-2.5747)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='B3LYPD3', mode='unCP', basis='datz', value=-4.8858)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='B3LYPD3', mode='unCP', basis='datz', value=-2.8798)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='B3LYPD3', mode='unCP', basis='datz', value=-5.7077)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='B3LYPD3', mode='unCP', basis='datz', value=-7.4292)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='B3LYPD3', mode='CP', basis='datz', value=-3.0989)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='B3LYPD3', mode='CP', basis='datz', value=-5.2160)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='B3LYPD3', mode='CP', basis='datz', value=-19.6661)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='B3LYPD3', mode='CP', basis='datz', value=-16.5594)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='B3LYPD3', mode='CP', basis='datz', value=-21.2504)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='B3LYPD3', mode='CP', basis='datz', value=-17.6721)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='B3LYPD3', mode='CP', basis='datz', value=-17.0278)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='B3LYPD3', mode='CP', basis='datz', value=-0.5397)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='B3LYPD3', mode='CP', basis='datz', value=-1.6284)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='B3LYPD3', mode='CP', basis='datz', value=-1.4797)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='B3LYPD3', mode='CP', basis='datz', value=-2.3551)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='B3LYPD3', mode='CP', basis='datz', value=-3.8348)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='B3LYPD3', mode='CP', basis='datz', value=-10.1160)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='B3LYPD3', mode='CP', basis='datz', value=-3.9548)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='B3LYPD3', mode='CP', basis='datz', value=-11.2062)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='B3LYPD3', mode='CP', basis='datz', value=-1.7205)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='B3LYPD3', mode='CP', basis='datz', value=-3.5326)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='B3LYPD3', mode='CP', basis='datz', value=-2.4691)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='B3LYPD3', mode='CP', basis='datz', value=-4.7251)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='B3LYPD3', mode='CP', basis='datz', value=-2.7057)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='B3LYPD3', mode='CP', basis='datz', value=-5.4809)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='B3LYPD3', mode='CP', basis='datz', value=-7.1917)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='B3LYPD3', mode='unCP', basis='dz', value=-5.9187)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='B3LYPD3', mode='unCP', basis='dz', value=-8.8221)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='B3LYPD3', mode='unCP', basis='dz', value=-25.3258)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='B3LYPD3', mode='unCP', basis='dz', value=-21.5000)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='B3LYPD3', mode='unCP', basis='dz', value=-25.0906)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='B3LYPD3', mode='unCP', basis='dz', value=-22.0141)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='B3LYPD3', mode='unCP', basis='dz', value=-21.9574)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='B3LYPD3', mode='unCP', basis='dz', value=-0.7156)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='B3LYPD3', mode='unCP', basis='dz', value=-2.3066)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='B3LYPD3', mode='unCP', basis='dz', value=-1.8361)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='B3LYPD3', mode='unCP', basis='dz', value=-3.2818)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='B3LYPD3', mode='unCP', basis='dz', value=-5.1675)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='B3LYPD3', mode='unCP', basis='dz', value=-13.0772)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='B3LYPD3', mode='unCP', basis='dz', value=-5.3880)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='B3LYPD3', mode='unCP', basis='dz', value=-15.0997)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='B3LYPD3', mode='unCP', basis='dz', value=-2.2704)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='B3LYPD3', mode='unCP', basis='dz', value=-4.6656)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='B3LYPD3', mode='unCP', basis='dz', value=-3.0794)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='B3LYPD3', mode='unCP', basis='dz', value=-5.1946)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='B3LYPD3', mode='unCP', basis='dz', value=-3.4463)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='B3LYPD3', mode='unCP', basis='dz', value=-6.7379)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='B3LYPD3', mode='unCP', basis='dz', value=-10.6115)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='B3LYPD3', mode='CP', basis='dz', value=-2.9311)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='B3LYPD3', mode='CP', basis='dz', value=-5.2578)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='B3LYPD3', mode='CP', basis='dz', value=-19.3837)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='B3LYPD3', mode='CP', basis='dz', value=-15.9875)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='B3LYPD3', mode='CP', basis='dz', value=-20.7289)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='B3LYPD3', mode='CP', basis='dz', value=-17.6410)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='B3LYPD3', mode='CP', basis='dz', value=-16.8310)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='B3LYPD3', mode='CP', basis='dz', value=-0.5445)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='B3LYPD3', mode='CP', basis='dz', value=-1.5982)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='B3LYPD3', mode='CP', basis='dz', value=-1.4318)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='B3LYPD3', mode='CP', basis='dz', value=-2.0151)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='B3LYPD3', mode='CP', basis='dz', value=-3.4423)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='B3LYPD3', mode='CP', basis='dz', value=-9.5276)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='B3LYPD3', mode='CP', basis='dz', value=-3.4788)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='B3LYPD3', mode='CP', basis='dz', value=-10.5328)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='B3LYPD3', mode='CP', basis='dz', value=-1.8443)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='B3LYPD3', mode='CP', basis='dz', value=-3.4771)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='B3LYPD3', mode='CP', basis='dz', value=-2.4289)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='B3LYPD3', mode='CP', basis='dz', value=-4.6403)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='B3LYPD3', mode='CP', basis='dz', value=-2.7503)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='B3LYPD3', mode='CP', basis='dz', value=-5.6047)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='B3LYPD3', mode='CP', basis='dz', value=-7.2751)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='B3LYPD3', mode='unCP', basis='tz', value=-4.4197)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='B3LYPD3', mode='unCP', basis='tz', value=-6.7904)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='B3LYPD3', mode='unCP', basis='tz', value=-21.3542)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='B3LYPD3', mode='unCP', basis='tz', value=-18.0513)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='B3LYPD3', mode='unCP', basis='tz', value=-22.2759)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='B3LYPD3', mode='unCP', basis='tz', value=-19.0131)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='B3LYPD3', mode='unCP', basis='tz', value=-18.4789)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='B3LYPD3', mode='unCP', basis='tz', value=-0.5606)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='B3LYPD3', mode='unCP', basis='tz', value=-1.8307)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='B3LYPD3', mode='unCP', basis='tz', value=-1.6184)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='B3LYPD3', mode='unCP', basis='tz', value=-2.7586)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='B3LYPD3', mode='unCP', basis='tz', value=-4.3895)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='B3LYPD3', mode='unCP', basis='tz', value=-11.3942)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='B3LYPD3', mode='unCP', basis='tz', value=-4.6291)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='B3LYPD3', mode='unCP', basis='tz', value=-12.8511)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='B3LYPD3', mode='unCP', basis='tz', value=-1.9044)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='B3LYPD3', mode='unCP', basis='tz', value=-4.5534)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='B3LYPD3', mode='unCP', basis='tz', value=-2.9804)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='B3LYPD3', mode='unCP', basis='tz', value=-5.0007)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='B3LYPD3', mode='unCP', basis='tz', value=-3.0137)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='B3LYPD3', mode='unCP', basis='tz', value=-6.1234)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='B3LYPD3', mode='unCP', basis='tz', value=-8.3906)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='B3LYPD3', mode='CP', basis='tz', value=-3.2037)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='B3LYPD3', mode='CP', basis='tz', value=-5.2426)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='B3LYPD3', mode='CP', basis='tz', value=-19.7879)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='B3LYPD3', mode='CP', basis='tz', value=-16.5727)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='B3LYPD3', mode='CP', basis='tz', value=-21.1548)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='B3LYPD3', mode='CP', basis='tz', value=-17.7155)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='B3LYPD3', mode='CP', basis='tz', value=-17.0425)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='B3LYPD3', mode='CP', basis='tz', value=-0.5374)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='B3LYPD3', mode='CP', basis='tz', value=-1.6467)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='B3LYPD3', mode='CP', basis='tz', value=-1.5005)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='B3LYPD3', mode='CP', basis='tz', value=-2.2896)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='B3LYPD3', mode='CP', basis='tz', value=-3.7444)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='B3LYPD3', mode='CP', basis='tz', value=-10.0565)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='B3LYPD3', mode='CP', basis='tz', value=-3.8432)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='B3LYPD3', mode='CP', basis='tz', value=-11.0791)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='B3LYPD3', mode='CP', basis='tz', value=-1.7651)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='B3LYPD3', mode='CP', basis='tz', value=-3.5178)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='B3LYPD3', mode='CP', basis='tz', value=-2.4627)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='B3LYPD3', mode='CP', basis='tz', value=-4.8477)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='B3LYPD3', mode='CP', basis='tz', value=-2.7601)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='B3LYPD3', mode='CP', basis='tz', value=-5.5811)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='B3LYPD3', mode='CP', basis='tz', value=-7.2045)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='B3LYPD3', mode='unCP', basis='hadz', value=-3.1729)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='B3LYPD3', mode='unCP', basis='hadz', value=-5.6657)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='B3LYPD3', mode='unCP', basis='hadz', value=-19.9318)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='B3LYPD3', mode='unCP', basis='hadz', value=-16.9650)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='B3LYPD3', mode='unCP', basis='hadz', value=-21.8031)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='B3LYPD3', mode='unCP', basis='hadz', value=-18.2946)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='B3LYPD3', mode='unCP', basis='hadz', value=-17.7819)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='B3LYPD3', mode='unCP', basis='hadz', value=-0.6925)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='B3LYPD3', mode='unCP', basis='hadz', value=-1.8287)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='B3LYPD3', mode='unCP', basis='hadz', value=-1.6671)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='B3LYPD3', mode='unCP', basis='hadz', value=-2.9020)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='B3LYPD3', mode='unCP', basis='hadz', value=-4.4710)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='B3LYPD3', mode='unCP', basis='hadz', value=-11.0962)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='B3LYPD3', mode='unCP', basis='hadz', value=-4.8951)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='B3LYPD3', mode='unCP', basis='hadz', value=-12.6486)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='B3LYPD3', mode='unCP', basis='hadz', value=-1.8635)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='B3LYPD3', mode='unCP', basis='hadz', value=-3.9528)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='B3LYPD3', mode='unCP', basis='hadz', value=-2.6906)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='B3LYPD3', mode='unCP', basis='hadz', value=-4.8964)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='B3LYPD3', mode='unCP', basis='hadz', value=-3.1780)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='B3LYPD3', mode='unCP', basis='hadz', value=-5.9562)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='B3LYPD3', mode='unCP', basis='hadz', value=-7.7627)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='B3LYPD3', mode='CP', basis='hadz', value=-2.9730)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='B3LYPD3', mode='CP', basis='hadz', value=-5.2678)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='B3LYPD3', mode='CP', basis='hadz', value=-19.3468)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='B3LYPD3', mode='CP', basis='hadz', value=-16.3739)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='B3LYPD3', mode='CP', basis='hadz', value=-21.0296)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='B3LYPD3', mode='CP', basis='hadz', value=-17.5603)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='B3LYPD3', mode='CP', basis='hadz', value=-16.9661)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='B3LYPD3', mode='CP', basis='hadz', value=-0.5259)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='B3LYPD3', mode='CP', basis='hadz', value=-1.5552)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='B3LYPD3', mode='CP', basis='hadz', value=-1.4477)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='B3LYPD3', mode='CP', basis='hadz', value=-2.2366)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='B3LYPD3', mode='CP', basis='hadz', value=-3.7218)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='B3LYPD3', mode='CP', basis='hadz', value=-9.9505)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='B3LYPD3', mode='CP', basis='hadz', value=-3.8160)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='B3LYPD3', mode='CP', basis='hadz', value=-11.0866)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='B3LYPD3', mode='CP', basis='hadz', value=-1.6599)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='B3LYPD3', mode='CP', basis='hadz', value=-3.5434)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='B3LYPD3', mode='CP', basis='hadz', value=-2.4545)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='B3LYPD3', mode='CP', basis='hadz', value=-4.5368)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='B3LYPD3', mode='CP', basis='hadz', value=-2.6446)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='B3LYPD3', mode='CP', basis='hadz', value=-5.2632)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='B3LYPD3', mode='CP', basis='hadz', value=-7.1144)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='B3LYPD3', mode='unCP', basis='hatz', value=-3.1480)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='B3LYPD3', mode='unCP', basis='hatz', value=-5.3051)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='B3LYPD3', mode='unCP', basis='hatz', value=-19.8138)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='B3LYPD3', mode='unCP', basis='hatz', value=-16.6793)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='B3LYPD3', mode='unCP', basis='hatz', value=-21.4458)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='B3LYPD3', mode='unCP', basis='hatz', value=-17.8709)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='B3LYPD3', mode='unCP', basis='hatz', value=-17.3112)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='B3LYPD3', mode='unCP', basis='hatz', value=-0.5580)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='B3LYPD3', mode='unCP', basis='hatz', value=-1.6608)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='B3LYPD3', mode='unCP', basis='hatz', value=-1.5224)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='B3LYPD3', mode='unCP', basis='hatz', value=-2.4901)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='B3LYPD3', mode='unCP', basis='hatz', value=-4.0154)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='B3LYPD3', mode='unCP', basis='hatz', value=-10.4526)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='B3LYPD3', mode='unCP', basis='hatz', value=-4.1944)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='B3LYPD3', mode='unCP', basis='hatz', value=-11.6541)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='B3LYPD3', mode='unCP', basis='hatz', value=-1.7764)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='B3LYPD3', mode='unCP', basis='hatz', value=-3.6505)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='B3LYPD3', mode='unCP', basis='hatz', value=-2.5180)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='B3LYPD3', mode='unCP', basis='hatz', value=-4.8254)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='B3LYPD3', mode='unCP', basis='hatz', value=-2.8299)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='B3LYPD3', mode='unCP', basis='hatz', value=-5.6545)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='B3LYPD3', mode='unCP', basis='hatz', value=-7.3696)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='B3LYPD3', mode='CP', basis='hatz', value=-3.0941)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='B3LYPD3', mode='CP', basis='hatz', value=-5.2240)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='B3LYPD3', mode='CP', basis='hatz', value=-19.6336)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='B3LYPD3', mode='CP', basis='hatz', value=-16.5386)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='B3LYPD3', mode='CP', basis='hatz', value=-21.2247)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='B3LYPD3', mode='CP', basis='hatz', value=-17.6574)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='B3LYPD3', mode='CP', basis='hatz', value=-17.0585)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='B3LYPD3', mode='CP', basis='hatz', value=-0.5402)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='B3LYPD3', mode='CP', basis='hatz', value=-1.6203)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='B3LYPD3', mode='CP', basis='hatz', value=-1.4655)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='B3LYPD3', mode='CP', basis='hatz', value=-2.3349)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='B3LYPD3', mode='CP', basis='hatz', value=-3.8151)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='B3LYPD3', mode='CP', basis='hatz', value=-10.1058)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='B3LYPD3', mode='CP', basis='hatz', value=-3.9329)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='B3LYPD3', mode='CP', basis='hatz', value=-11.1931)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='B3LYPD3', mode='CP', basis='hatz', value=-1.7175)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='B3LYPD3', mode='CP', basis='hatz', value=-3.5107)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='B3LYPD3', mode='CP', basis='hatz', value=-2.4490)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='B3LYPD3', mode='CP', basis='hatz', value=-4.7199)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='B3LYPD3', mode='CP', basis='hatz', value=-2.7097)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='B3LYPD3', mode='CP', basis='hatz', value=-5.4609)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='B3LYPD3', mode='CP', basis='hatz', value=-7.1802)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='B3LYPD3', mode='unCP', basis='6311pg_3df_2p_', value=-3.1797)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='B3LYPD3', mode='unCP', basis='6311pg_3df_2p_', value=-5.5606)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='B3LYPD3', mode='unCP', basis='6311pg_3df_2p_', value=-20.0588)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='B3LYPD3', mode='unCP', basis='6311pg_3df_2p_', value=-16.8084)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='B3LYPD3', mode='unCP', basis='6311pg_3df_2p_', value=-21.4652)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='B3LYPD3', mode='unCP', basis='6311pg_3df_2p_', value=-17.8610)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='B3LYPD3', mode='unCP', basis='6311pg_3df_2p_', value=-17.2824)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='B3LYPD3', mode='unCP', basis='6311pg_3df_2p_', value=-0.5362)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='B3LYPD3', mode='unCP', basis='6311pg_3df_2p_', value=-1.6753)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='B3LYPD3', mode='unCP', basis='6311pg_3df_2p_', value=-1.6834)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='B3LYPD3', mode='unCP', basis='6311pg_3df_2p_', value=-2.9433)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='B3LYPD3', mode='unCP', basis='6311pg_3df_2p_', value=-4.2280)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='B3LYPD3', mode='unCP', basis='6311pg_3df_2p_', value=-10.9994)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='B3LYPD3', mode='unCP', basis='6311pg_3df_2p_', value=-4.7624)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='B3LYPD3', mode='unCP', basis='6311pg_3df_2p_', value=-12.1489)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='B3LYPD3', mode='unCP', basis='6311pg_3df_2p_', value=-1.8138)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='B3LYPD3', mode='unCP', basis='6311pg_3df_2p_', value=-4.0265)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='B3LYPD3', mode='unCP', basis='6311pg_3df_2p_', value=-2.7338)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='B3LYPD3', mode='unCP', basis='6311pg_3df_2p_', value=-5.1299)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='B3LYPD3', mode='unCP', basis='6311pg_3df_2p_', value=-3.1777)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='B3LYPD3', mode='unCP', basis='6311pg_3df_2p_', value=-5.9980)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='B3LYPD3', mode='unCP', basis='6311pg_3df_2p_', value=-7.6272)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='B2PLYP', mode='unCP', basis='adz', value=-2.8363)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='B2PLYP', mode='unCP', basis='adz', value=-4.9556)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='B2PLYP', mode='unCP', basis='adz', value=-18.2293)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='B2PLYP', mode='unCP', basis='adz', value=-15.3698)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='B2PLYP', mode='unCP', basis='adz', value=-19.9132)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='B2PLYP', mode='unCP', basis='adz', value=-16.1363)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='B2PLYP', mode='unCP', basis='adz', value=-15.6236)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='B2PLYP', mode='unCP', basis='adz', value=-0.3145)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='B2PLYP', mode='unCP', basis='adz', value=-0.7809)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='B2PLYP', mode='unCP', basis='adz', value=-0.9081)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='B2PLYP', mode='unCP', basis='adz', value=-0.8433)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='B2PLYP', mode='unCP', basis='adz', value=-2.2034)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='B2PLYP', mode='unCP', basis='adz', value=-6.9522)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='B2PLYP', mode='unCP', basis='adz', value=-2.0138)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='B2PLYP', mode='unCP', basis='adz', value=-7.9338)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='B2PLYP', mode='unCP', basis='adz', value=-1.5575)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='B2PLYP', mode='unCP', basis='adz', value=-2.6882)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='B2PLYP', mode='unCP', basis='adz', value=-1.7423)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='B2PLYP', mode='unCP', basis='adz', value=-4.0469)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='B2PLYP', mode='unCP', basis='adz', value=-2.0944)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='B2PLYP', mode='unCP', basis='adz', value=-4.5611)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='B2PLYP', mode='unCP', basis='adz', value=-6.0428)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='B2PLYP', mode='unCP', basis='atz', value=-2.6564)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='B2PLYP', mode='unCP', basis='atz', value=-4.8448)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='B2PLYP', mode='unCP', basis='atz', value=-18.2819)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='B2PLYP', mode='unCP', basis='atz', value=-15.0965)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='B2PLYP', mode='unCP', basis='atz', value=-19.4908)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='B2PLYP', mode='unCP', basis='atz', value=-15.6969)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='B2PLYP', mode='unCP', basis='atz', value=-14.9596)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='B2PLYP', mode='unCP', basis='atz', value=-0.0182)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='B2PLYP', mode='unCP', basis='atz', value=-0.4660)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='B2PLYP', mode='unCP', basis='atz', value=-0.4373)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='B2PLYP', mode='unCP', basis='atz', value=0.2019)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='B2PLYP', mode='unCP', basis='atz', value=-1.3516)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='B2PLYP', mode='unCP', basis='atz', value=-5.7313)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='B2PLYP', mode='unCP', basis='atz', value=-0.5550)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='B2PLYP', mode='unCP', basis='atz', value=-5.9229)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='B2PLYP', mode='unCP', basis='atz', value=-1.1713)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='B2PLYP', mode='unCP', basis='atz', value=-2.3617)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='B2PLYP', mode='unCP', basis='atz', value=-1.3143)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='B2PLYP', mode='unCP', basis='atz', value=-3.5741)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='B2PLYP', mode='unCP', basis='atz', value=-1.1280)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='B2PLYP', mode='unCP', basis='atz', value=-3.5096)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='B2PLYP', mode='unCP', basis='atz', value=-5.3095)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='B2PLYPD2', mode='unCP', basis='adz', value=-3.5987)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='B2PLYPD2', mode='unCP', basis='adz', value=-5.3824)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='B2PLYPD2', mode='unCP', basis='adz', value=-19.6126)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='B2PLYPD2', mode='unCP', basis='adz', value=-16.8312)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='B2PLYPD2', mode='unCP', basis='adz', value=-21.7470)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='B2PLYPD2', mode='unCP', basis='adz', value=-18.3212)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='B2PLYPD2', mode='unCP', basis='adz', value=-17.9544)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='B2PLYPD2', mode='unCP', basis='adz', value=-0.7692)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='B2PLYPD2', mode='unCP', basis='adz', value=-1.9568)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='B2PLYPD2', mode='unCP', basis='adz', value=-2.1072)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='B2PLYPD2', mode='unCP', basis='adz', value=-3.9879)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='B2PLYPD2', mode='unCP', basis='adz', value=-5.6186)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='B2PLYPD2', mode='unCP', basis='adz', value=-11.9103)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='B2PLYPD2', mode='unCP', basis='adz', value=-6.7071)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='B2PLYPD2', mode='unCP', basis='adz', value=-15.2052)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='B2PLYPD2', mode='unCP', basis='adz', value=-2.1055)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='B2PLYPD2', mode='unCP', basis='adz', value=-3.9746)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='B2PLYPD2', mode='unCP', basis='adz', value=-2.9955)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='B2PLYPD2', mode='unCP', basis='adz', value=-5.7496)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='B2PLYPD2', mode='unCP', basis='adz', value=-4.1010)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='B2PLYPD2', mode='unCP', basis='adz', value=-7.4767)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='B2PLYPD2', mode='unCP', basis='adz', value=-8.2894)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='B2PLYPD2', mode='unCP', basis='atz', value=-3.4188)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='B2PLYPD2', mode='unCP', basis='atz', value=-5.2715)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='B2PLYPD2', mode='unCP', basis='atz', value=-19.6651)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='B2PLYPD2', mode='unCP', basis='atz', value=-16.5579)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='B2PLYPD2', mode='unCP', basis='atz', value=-21.3246)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='B2PLYPD2', mode='unCP', basis='atz', value=-17.8818)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='B2PLYPD2', mode='unCP', basis='atz', value=-17.2904)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='B2PLYPD2', mode='unCP', basis='atz', value=-0.4729)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='B2PLYPD2', mode='unCP', basis='atz', value=-1.6419)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='B2PLYPD2', mode='unCP', basis='atz', value=-1.6365)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='B2PLYPD2', mode='unCP', basis='atz', value=-2.9426)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='B2PLYPD2', mode='unCP', basis='atz', value=-4.7668)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='B2PLYPD2', mode='unCP', basis='atz', value=-10.6894)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='B2PLYPD2', mode='unCP', basis='atz', value=-5.2482)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='B2PLYPD2', mode='unCP', basis='atz', value=-13.1943)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='B2PLYPD2', mode='unCP', basis='atz', value=-1.7193)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='B2PLYPD2', mode='unCP', basis='atz', value=-3.6481)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='B2PLYPD2', mode='unCP', basis='atz', value=-2.5676)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='B2PLYPD2', mode='unCP', basis='atz', value=-5.2767)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='B2PLYPD2', mode='unCP', basis='atz', value=-3.1346)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='B2PLYPD2', mode='unCP', basis='atz', value=-6.4252)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='B2PLYPD2', mode='unCP', basis='atz', value=-7.5561)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='B2PLYPD3', mode='unCP', basis='adz', value=-3.3139)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='B2PLYPD3', mode='unCP', basis='adz', value=-5.3465)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='B2PLYPD3', mode='unCP', basis='adz', value=-19.4626)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='B2PLYPD3', mode='unCP', basis='adz', value=-16.7315)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='B2PLYPD3', mode='unCP', basis='adz', value=-21.6844)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='B2PLYPD3', mode='unCP', basis='adz', value=-18.1809)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='B2PLYPD3', mode='unCP', basis='adz', value=-17.8387)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='B2PLYPD3', mode='unCP', basis='adz', value=-0.7294)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='B2PLYPD3', mode='unCP', basis='adz', value=-1.9061)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='B2PLYPD3', mode='unCP', basis='adz', value=-2.0977)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='B2PLYPD3', mode='unCP', basis='adz', value=-3.8825)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='B2PLYPD3', mode='unCP', basis='adz', value=-5.3733)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='B2PLYPD3', mode='unCP', basis='adz', value=-11.5763)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='B2PLYPD3', mode='unCP', basis='adz', value=-6.3581)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='B2PLYPD3', mode='unCP', basis='adz', value=-14.3076)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='B2PLYPD3', mode='unCP', basis='adz', value=-2.1004)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='B2PLYPD3', mode='unCP', basis='adz', value=-3.8556)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='B2PLYPD3', mode='unCP', basis='adz', value=-2.9513)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='B2PLYPD3', mode='unCP', basis='adz', value=-5.5410)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='B2PLYPD3', mode='unCP', basis='adz', value=-4.0430)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='B2PLYPD3', mode='unCP', basis='adz', value=-7.1145)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='B2PLYPD3', mode='unCP', basis='adz', value=-8.2907)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='B2PLYPD3', mode='unCP', basis='atz', value=-3.1340)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='B2PLYPD3', mode='unCP', basis='atz', value=-5.2356)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='B2PLYPD3', mode='unCP', basis='atz', value=-19.5152)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='B2PLYPD3', mode='unCP', basis='atz', value=-16.4583)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='B2PLYPD3', mode='unCP', basis='atz', value=-21.2620)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='B2PLYPD3', mode='unCP', basis='atz', value=-17.7415)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='B2PLYPD3', mode='unCP', basis='atz', value=-17.1747)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='B2PLYPD3', mode='unCP', basis='atz', value=-0.4330)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='B2PLYPD3', mode='unCP', basis='atz', value=-1.5912)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='B2PLYPD3', mode='unCP', basis='atz', value=-1.6270)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='B2PLYPD3', mode='unCP', basis='atz', value=-2.8372)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='B2PLYPD3', mode='unCP', basis='atz', value=-4.5215)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='B2PLYPD3', mode='unCP', basis='atz', value=-10.3554)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='B2PLYPD3', mode='unCP', basis='atz', value=-4.8992)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='B2PLYPD3', mode='unCP', basis='atz', value=-12.2967)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='B2PLYPD3', mode='unCP', basis='atz', value=-1.7141)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='B2PLYPD3', mode='unCP', basis='atz', value=-3.5291)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='B2PLYPD3', mode='unCP', basis='atz', value=-2.5233)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='B2PLYPD3', mode='unCP', basis='atz', value=-5.0681)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='B2PLYPD3', mode='unCP', basis='atz', value=-3.0766)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='B2PLYPD3', mode='unCP', basis='atz', value=-6.0630)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='B2PLYPD3', mode='unCP', basis='atz', value=-7.5574)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='B970', mode='unCP', basis='adz', value=-2.5637)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='B970', mode='unCP', basis='adz', value=-4.5646)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='B970', mode='unCP', basis='adz', value=-17.1097)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='B970', mode='unCP', basis='adz', value=-14.2570)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='B970', mode='unCP', basis='adz', value=-18.2429)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='B970', mode='unCP', basis='adz', value=-14.6174)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='B970', mode='unCP', basis='adz', value=-13.7961)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='B970', mode='unCP', basis='adz', value=-0.3078)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='B970', mode='unCP', basis='adz', value=-0.3991)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='B970', mode='unCP', basis='adz', value=-0.2070)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='B970', mode='unCP', basis='adz', value=1.6447)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='B970', mode='unCP', basis='adz', value=0.6457)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='B970', mode='unCP', basis='adz', value=-3.0009)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='B970', mode='unCP', basis='adz', value=2.0185)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='B970', mode='unCP', basis='adz', value=-1.5444)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='B970', mode='unCP', basis='adz', value=-1.3886)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='B970', mode='unCP', basis='adz', value=-2.0905)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='B970', mode='unCP', basis='adz', value=-1.0842)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='B970', mode='unCP', basis='adz', value=-3.0421)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='B970', mode='unCP', basis='adz', value=-0.5529)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='B970', mode='unCP', basis='adz', value=-2.4227)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='B970', mode='unCP', basis='adz', value=-3.8891)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='B970', mode='CP', basis='adz', value=-2.2804)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='B970', mode='CP', basis='adz', value=-4.3324)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='B970', mode='CP', basis='adz', value=-16.4508)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='B970', mode='CP', basis='adz', value=-13.5490)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='B970', mode='CP', basis='adz', value=-17.2704)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='B970', mode='CP', basis='adz', value=-13.6059)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='B970', mode='CP', basis='adz', value=-12.7417)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='B970', mode='CP', basis='adz', value=-0.0168)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='B970', mode='CP', basis='adz', value=-0.0445)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='B970', mode='CP', basis='adz', value=0.2850)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='B970', mode='CP', basis='adz', value=2.6680)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='B970', mode='CP', basis='adz', value=1.6074)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='B970', mode='CP', basis='adz', value=-1.7241)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='B970', mode='CP', basis='adz', value=3.4395)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='B970', mode='CP', basis='adz', value=0.2744)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='B970', mode='CP', basis='adz', value=-0.9855)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='B970', mode='CP', basis='adz', value=-1.6445)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='B970', mode='CP', basis='adz', value=-0.5847)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='B970', mode='CP', basis='adz', value=-2.3565)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='B970', mode='CP', basis='adz', value=0.3779)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='B970', mode='CP', basis='adz', value=-1.2138)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='B970', mode='CP', basis='adz', value=-3.0925)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='B970', mode='unCP', basis='atz', value=-2.3752)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='B970', mode='unCP', basis='atz', value=-4.4209)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='B970', mode='unCP', basis='atz', value=-17.0242)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='B970', mode='unCP', basis='atz', value=-13.8409)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='B970', mode='unCP', basis='atz', value=-17.7425)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='B970', mode='unCP', basis='atz', value=-13.9524)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='B970', mode='unCP', basis='atz', value=-13.1512)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='B970', mode='unCP', basis='atz', value=-0.0285)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='B970', mode='unCP', basis='atz', value=-0.0932)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='B970', mode='unCP', basis='atz', value=0.1638)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='B970', mode='unCP', basis='atz', value=2.4960)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='B970', mode='unCP', basis='atz', value=1.3803)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='B970', mode='unCP', basis='atz', value=-2.1967)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='B970', mode='unCP', basis='atz', value=3.1670)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='B970', mode='unCP', basis='atz', value=-0.2528)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='B970', mode='unCP', basis='atz', value=-1.0942)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='B970', mode='unCP', basis='atz', value=-1.7893)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='B970', mode='unCP', basis='atz', value=-0.7232)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='B970', mode='unCP', basis='atz', value=-2.6648)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='B970', mode='unCP', basis='atz', value=0.1601)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='B970', mode='unCP', basis='atz', value=-1.5966)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='B970', mode='unCP', basis='atz', value=-3.3569)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='B970', mode='CP', basis='atz', value=-2.3525)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='B970', mode='CP', basis='atz', value=-4.3663)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='B970', mode='CP', basis='atz', value=-16.7652)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='B970', mode='CP', basis='atz', value=-13.6453)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='B970', mode='CP', basis='atz', value=-17.4147)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='B970', mode='CP', basis='atz', value=-13.6856)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='B970', mode='CP', basis='atz', value=-12.8166)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='B970', mode='CP', basis='atz', value=-0.0110)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='B970', mode='CP', basis='atz', value=-0.0375)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='B970', mode='CP', basis='atz', value=0.2446)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='B970', mode='CP', basis='atz', value=2.6513)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='B970', mode='CP', basis='atz', value=1.5659)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='B970', mode='CP', basis='atz', value=-1.8288)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='B970', mode='CP', basis='atz', value=3.4149)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='B970', mode='CP', basis='atz', value=0.2026)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='B970', mode='CP', basis='atz', value=-1.0245)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='B970', mode='CP', basis='atz', value=-1.6905)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='B970', mode='CP', basis='atz', value=-0.6407)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='B970', mode='CP', basis='atz', value=-2.5191)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='B970', mode='CP', basis='atz', value=0.3097)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='B970', mode='CP', basis='atz', value=-1.3592)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='B970', mode='CP', basis='atz', value=-3.1405)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='B970', mode='unCP', basis='dz', value=-4.8741)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='B970', mode='unCP', basis='dz', value=-7.6034)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='B970', mode='unCP', basis='dz', value=-21.8355)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='B970', mode='unCP', basis='dz', value=-18.1633)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='B970', mode='unCP', basis='dz', value=-20.8953)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='B970', mode='unCP', basis='dz', value=-17.6521)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='B970', mode='unCP', basis='dz', value=-17.2663)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='B970', mode='unCP', basis='dz', value=-0.1417)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='B970', mode='unCP', basis='dz', value=-0.5781)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='B970', mode='unCP', basis='dz', value=-0.0678)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='B970', mode='unCP', basis='dz', value=1.7238)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='B970', mode='unCP', basis='dz', value=0.2820)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='B970', mode='unCP', basis='dz', value=-4.4431)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='B970', mode='unCP', basis='dz', value=1.9743)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='B970', mode='unCP', basis='dz', value=-3.4157)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='B970', mode='unCP', basis='dz', value=-1.4635)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='B970', mode='unCP', basis='dz', value=-2.6254)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='B970', mode='unCP', basis='dz', value=-1.1311)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='B970', mode='unCP', basis='dz', value=-2.9370)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='B970', mode='unCP', basis='dz', value=-0.3439)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='B970', mode='unCP', basis='dz', value=-2.4768)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='B970', mode='unCP', basis='dz', value=-6.2374)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='B970', mode='CP', basis='dz', value=-2.1749)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='B970', mode='CP', basis='dz', value=-4.4043)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='B970', mode='CP', basis='dz', value=-16.4671)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='B970', mode='CP', basis='dz', value=-13.1771)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='B970', mode='CP', basis='dz', value=-16.9767)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='B970', mode='CP', basis='dz', value=-13.7156)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='B970', mode='CP', basis='dz', value=-12.6409)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='B970', mode='CP', basis='dz', value=0.0133)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='B970', mode='CP', basis='dz', value=0.0352)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='B970', mode='CP', basis='dz', value=0.3404)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='B970', mode='CP', basis='dz', value=2.8702)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='B970', mode='CP', basis='dz', value=1.8834)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='B970', mode='CP', basis='dz', value=-1.1947)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='B970', mode='CP', basis='dz', value=3.7270)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='B970', mode='CP', basis='dz', value=0.8331)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='B970', mode='CP', basis='dz', value=-1.1092)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='B970', mode='CP', basis='dz', value=-1.5055)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='B970', mode='CP', basis='dz', value=-0.4983)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='B970', mode='CP', basis='dz', value=-2.3829)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='B970', mode='CP', basis='dz', value=0.3468)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='B970', mode='CP', basis='dz', value=-1.3894)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='B970', mode='CP', basis='dz', value=-3.2000)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='B970', mode='unCP', basis='tz', value=-3.5646)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='B970', mode='unCP', basis='tz', value=-5.8064)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='B970', mode='unCP', basis='tz', value=-18.3729)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='B970', mode='unCP', basis='tz', value=-15.0629)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='B970', mode='unCP', basis='tz', value=-18.3812)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='B970', mode='unCP', basis='tz', value=-14.9460)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='B970', mode='unCP', basis='tz', value=-14.1387)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='B970', mode='unCP', basis='tz', value=-0.0284)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='B970', mode='unCP', basis='tz', value=-0.2243)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='B970', mode='unCP', basis='tz', value=0.1229)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='B970', mode='unCP', basis='tz', value=2.2996)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='B970', mode='unCP', basis='tz', value=1.0726)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='B970', mode='unCP', basis='tz', value=-2.9968)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='B970', mode='unCP', basis='tz', value=2.8249)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='B970', mode='unCP', basis='tz', value=-1.3018)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='B970', mode='unCP', basis='tz', value=-1.1867)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='B970', mode='unCP', basis='tz', value=-2.5980)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='B970', mode='unCP', basis='tz', value=-1.0782)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='B970', mode='unCP', basis='tz', value=-2.7494)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='B970', mode='unCP', basis='tz', value=0.0581)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='B970', mode='unCP', basis='tz', value=-1.9556)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='B970', mode='unCP', basis='tz', value=-4.2457)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='B970', mode='CP', basis='tz', value=-2.4399)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='B970', mode='CP', basis='tz', value=-4.3716)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='B970', mode='CP', basis='tz', value=-16.8795)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='B970', mode='CP', basis='tz', value=-13.6536)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='B970', mode='CP', basis='tz', value=-17.3195)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='B970', mode='CP', basis='tz', value=-13.7096)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='B970', mode='CP', basis='tz', value=-12.7665)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='B970', mode='CP', basis='tz', value=-0.0062)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='B970', mode='CP', basis='tz', value=-0.0494)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='B970', mode='CP', basis='tz', value=0.2277)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='B970', mode='CP', basis='tz', value=2.7353)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='B970', mode='CP', basis='tz', value=1.6773)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='B970', mode='CP', basis='tz', value=-1.7249)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='B970', mode='CP', basis='tz', value=3.5607)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='B970', mode='CP', basis='tz', value=0.3863)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='B970', mode='CP', basis='tz', value=-1.0563)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='B970', mode='CP', basis='tz', value=-1.6319)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='B970', mode='CP', basis='tz', value=-0.5973)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='B970', mode='CP', basis='tz', value=-2.6148)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='B970', mode='CP', basis='tz', value=0.2880)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='B970', mode='CP', basis='tz', value=-1.4514)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='B970', mode='CP', basis='tz', value=-3.1281)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='B970', mode='unCP', basis='hadz', value=-2.4167)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='B970', mode='unCP', basis='hadz', value=-4.8083)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='B970', mode='unCP', basis='hadz', value=-16.9850)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='B970', mode='unCP', basis='hadz', value=-14.0680)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='B970', mode='unCP', basis='hadz', value=-17.9330)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='B970', mode='unCP', basis='hadz', value=-14.2410)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='B970', mode='unCP', basis='hadz', value=-13.4508)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='B970', mode='unCP', basis='hadz', value=-0.1666)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='B970', mode='unCP', basis='hadz', value=-0.2141)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='B970', mode='unCP', basis='hadz', value=0.0076)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='B970', mode='unCP', basis='hadz', value=1.8926)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='B970', mode='unCP', basis='hadz', value=0.8247)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='B970', mode='unCP', basis='hadz', value=-2.9396)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='B970', mode='unCP', basis='hadz', value=2.2229)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='B970', mode='unCP', basis='hadz', value=-1.4091)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='B970', mode='unCP', basis='hadz', value=-1.1823)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='B970', mode='unCP', basis='hadz', value=-2.1730)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='B970', mode='unCP', basis='hadz', value=-0.9214)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='B970', mode='unCP', basis='hadz', value=-2.8096)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='B970', mode='unCP', basis='hadz', value=-0.2304)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='B970', mode='unCP', basis='hadz', value=-1.9795)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='B970', mode='unCP', basis='hadz', value=-3.7382)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='B970', mode='CP', basis='hadz', value=-2.2441)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='B970', mode='CP', basis='hadz', value=-4.4401)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='B970', mode='CP', basis='hadz', value=-16.4130)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='B970', mode='CP', basis='hadz', value=-13.5066)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='B970', mode='CP', basis='hadz', value=-17.2270)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='B970', mode='CP', basis='hadz', value=-13.5809)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='B970', mode='CP', basis='hadz', value=-12.7113)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='B970', mode='CP', basis='hadz', value=-0.0104)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='B970', mode='CP', basis='hadz', value=0.0268)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='B970', mode='CP', basis='hadz', value=0.2407)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='B970', mode='CP', basis='hadz', value=2.6418)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='B970', mode='CP', basis='hadz', value=1.5951)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='B970', mode='CP', basis='hadz', value=-1.7180)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='B970', mode='CP', basis='hadz', value=3.4142)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='B970', mode='CP', basis='hadz', value=0.2395)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='B970', mode='CP', basis='hadz', value=-0.9811)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='B970', mode='CP', basis='hadz', value=-1.7569)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='B970', mode='CP', basis='hadz', value=-0.6755)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='B970', mode='CP', basis='hadz', value=-2.3918)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='B970', mode='CP', basis='hadz', value=0.3399)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='B970', mode='CP', basis='hadz', value=-1.2478)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='B970', mode='CP', basis='hadz', value=-3.0855)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='B970', mode='unCP', basis='hatz', value=-2.4031)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='B970', mode='unCP', basis='hatz', value=-4.4563)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='B970', mode='unCP', basis='hatz', value=-16.9281)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='B970', mode='unCP', basis='hatz', value=-13.7769)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='B970', mode='unCP', basis='hatz', value=-17.6295)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='B970', mode='unCP', basis='hatz', value=-13.8877)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='B970', mode='unCP', basis='hatz', value=-13.0528)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='B970', mode='unCP', basis='hatz', value=-0.0282)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='B970', mode='unCP', basis='hatz', value=-0.0693)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='B970', mode='unCP', basis='hatz', value=0.2019)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='B970', mode='unCP', basis='hatz', value=2.5233)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='B970', mode='unCP', basis='hatz', value=1.4012)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='B970', mode='unCP', basis='hatz', value=-2.1633)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='B970', mode='unCP', basis='hatz', value=3.1884)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='B970', mode='unCP', basis='hatz', value=-0.2340)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='B970', mode='unCP', basis='hatz', value=-1.0762)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='B970', mode='unCP', basis='hatz', value=-1.8112)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='B970', mode='unCP', basis='hatz', value=-0.6929)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='B970', mode='unCP', basis='hatz', value=-2.5986)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='B970', mode='unCP', basis='hatz', value=0.2123)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='B970', mode='unCP', basis='hatz', value=-1.5267)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='B970', mode='unCP', basis='hatz', value=-3.3079)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='B970', mode='CP', basis='hatz', value=-2.3520)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='B970', mode='CP', basis='hatz', value=-4.3791)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='B970', mode='CP', basis='hatz', value=-16.7451)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='B970', mode='CP', basis='hatz', value=-13.6347)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='B970', mode='CP', basis='hatz', value=-17.4055)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='B970', mode='CP', basis='hatz', value=-13.6776)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='B970', mode='CP', basis='hatz', value=-12.8020)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='B970', mode='CP', basis='hatz', value=-0.0115)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='B970', mode='CP', basis='hatz', value=-0.0316)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='B970', mode='CP', basis='hatz', value=0.2493)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='B970', mode='CP', basis='hatz', value=2.6509)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='B970', mode='CP', basis='hatz', value=1.5691)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='B970', mode='CP', basis='hatz', value=-1.8241)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='B970', mode='CP', basis='hatz', value=3.4191)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='B970', mode='CP', basis='hatz', value=0.2123)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='B970', mode='CP', basis='hatz', value=-1.0241)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='B970', mode='CP', basis='hatz', value=-1.6797)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='B970', mode='CP', basis='hatz', value=-0.6313)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='B970', mode='CP', basis='hatz', value=-2.5088)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='B970', mode='CP', basis='hatz', value=0.3139)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='B970', mode='CP', basis='hatz', value=-1.3552)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='B970', mode='CP', basis='hatz', value=-3.1304)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='BP86', mode='unCP', basis='adz', value=-2.0284)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='BP86', mode='unCP', basis='adz', value=-4.2155)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='BP86', mode='unCP', basis='adz', value=-17.5066)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='BP86', mode='unCP', basis='adz', value=-14.1627)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='BP86', mode='unCP', basis='adz', value=-18.1589)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='BP86', mode='unCP', basis='adz', value=-14.9647)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='BP86', mode='unCP', basis='adz', value=-13.8471)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='BP86', mode='unCP', basis='adz', value=0.4044)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='BP86', mode='unCP', basis='adz', value=0.4947)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='BP86', mode='unCP', basis='adz', value=0.6574)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='BP86', mode='unCP', basis='adz', value=2.6841)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='BP86', mode='unCP', basis='adz', value=1.5590)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='BP86', mode='unCP', basis='adz', value=-1.2879)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='BP86', mode='unCP', basis='adz', value=2.9820)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='BP86', mode='unCP', basis='adz', value=-0.2301)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='BP86', mode='unCP', basis='adz', value=-0.7461)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='BP86', mode='unCP', basis='adz', value=-1.1602)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='BP86', mode='unCP', basis='adz', value=-0.1448)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='BP86', mode='unCP', basis='adz', value=-2.0947)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='BP86', mode='unCP', basis='adz', value=0.4120)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='BP86', mode='unCP', basis='adz', value=-1.3777)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='BP86', mode='unCP', basis='adz', value=-3.0384)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='BP86', mode='CP', basis='adz', value=-1.7534)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='BP86', mode='CP', basis='adz', value=-3.9955)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='BP86', mode='CP', basis='adz', value=-16.8431)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='BP86', mode='CP', basis='adz', value=-13.4260)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='BP86', mode='CP', basis='adz', value=-17.0842)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='BP86', mode='CP', basis='adz', value=-13.8376)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='BP86', mode='CP', basis='adz', value=-12.6546)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='BP86', mode='CP', basis='adz', value=0.7389)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='BP86', mode='CP', basis='adz', value=0.9331)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='BP86', mode='CP', basis='adz', value=1.0812)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='BP86', mode='CP', basis='adz', value=3.5902)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='BP86', mode='CP', basis='adz', value=2.5365)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='BP86', mode='CP', basis='adz', value=-0.1055)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='BP86', mode='CP', basis='adz', value=4.2679)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='BP86', mode='CP', basis='adz', value=1.5607)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='BP86', mode='CP', basis='adz', value=-0.3459)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='BP86', mode='CP', basis='adz', value=-0.7834)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='BP86', mode='CP', basis='adz', value=0.2828)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='BP86', mode='CP', basis='adz', value=-1.4896)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='BP86', mode='CP', basis='adz', value=1.2797)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='BP86', mode='CP', basis='adz', value=-0.1778)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='BP86', mode='CP', basis='adz', value=-2.2746)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='BP86', mode='unCP', basis='atz', value=-1.8900)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='BP86', mode='unCP', basis='atz', value=-4.1289)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='BP86', mode='unCP', basis='atz', value=-17.3838)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='BP86', mode='unCP', basis='atz', value=-13.7738)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='BP86', mode='unCP', basis='atz', value=-17.6117)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='BP86', mode='unCP', basis='atz', value=-14.2427)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='BP86', mode='unCP', basis='atz', value=-13.1376)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='BP86', mode='unCP', basis='atz', value=0.7472)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='BP86', mode='unCP', basis='atz', value=0.8730)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='BP86', mode='unCP', basis='atz', value=0.9385)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='BP86', mode='unCP', basis='atz', value=3.4411)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='BP86', mode='unCP', basis='atz', value=2.2999)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='BP86', mode='unCP', basis='atz', value=-0.6163)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='BP86', mode='unCP', basis='atz', value=4.0335)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='BP86', mode='unCP', basis='atz', value=1.0350)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='BP86', mode='unCP', basis='atz', value=-0.5088)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='BP86', mode='unCP', basis='atz', value=-1.0092)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='BP86', mode='unCP', basis='atz', value=0.0808)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='BP86', mode='unCP', basis='atz', value=-1.8477)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='BP86', mode='unCP', basis='atz', value=1.0276)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='BP86', mode='unCP', basis='atz', value=-0.6600)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='BP86', mode='unCP', basis='atz', value=-2.6030)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='BP86', mode='CP', basis='atz', value=-1.8683)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='BP86', mode='CP', basis='atz', value=-4.0732)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='BP86', mode='CP', basis='atz', value=-17.1073)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='BP86', mode='CP', basis='atz', value=-13.5540)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='BP86', mode='CP', basis='atz', value=-17.2311)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='BP86', mode='CP', basis='atz', value=-13.9237)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='BP86', mode='CP', basis='atz', value=-12.7392)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='BP86', mode='CP', basis='atz', value=0.7710)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='BP86', mode='CP', basis='atz', value=0.9538)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='BP86', mode='CP', basis='atz', value=1.0487)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='BP86', mode='CP', basis='atz', value=3.6572)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='BP86', mode='CP', basis='atz', value=2.5643)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='BP86', mode='CP', basis='atz', value=-0.1997)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='BP86', mode='CP', basis='atz', value=4.3657)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='BP86', mode='CP', basis='atz', value=1.5699)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='BP86', mode='CP', basis='atz', value=-0.4033)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='BP86', mode='CP', basis='atz', value=-0.8891)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='BP86', mode='CP', basis='atz', value=0.1900)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='BP86', mode='CP', basis='atz', value=-1.6588)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='BP86', mode='CP', basis='atz', value=1.2368)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='BP86', mode='CP', basis='atz', value=-0.3579)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='BP86', mode='CP', basis='atz', value=-2.3338)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='BP86', mode='unCP', basis='dz', value=-4.6493)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='BP86', mode='unCP', basis='dz', value=-7.6758)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='BP86', mode='unCP', basis='dz', value=-22.6970)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='BP86', mode='unCP', basis='dz', value=-18.4117)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='BP86', mode='unCP', basis='dz', value=-20.9420)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='BP86', mode='unCP', basis='dz', value=-18.1034)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='BP86', mode='unCP', basis='dz', value=-17.4296)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='BP86', mode='unCP', basis='dz', value=0.5825)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='BP86', mode='unCP', basis='dz', value=0.4469)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='BP86', mode='unCP', basis='dz', value=0.7499)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='BP86', mode='unCP', basis='dz', value=2.8204)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='BP86', mode='unCP', basis='dz', value=1.3240)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='BP86', mode='unCP', basis='dz', value=-2.7028)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='BP86', mode='unCP', basis='dz', value=3.0548)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='BP86', mode='unCP', basis='dz', value=-1.7898)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='BP86', mode='unCP', basis='dz', value=-0.8930)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='BP86', mode='unCP', basis='dz', value=-1.7704)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='BP86', mode='unCP', basis='dz', value=-0.2888)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='BP86', mode='unCP', basis='dz', value=-2.0781)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='BP86', mode='unCP', basis='dz', value=0.5717)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='BP86', mode='unCP', basis='dz', value=-1.3974)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='BP86', mode='unCP', basis='dz', value=-5.4818)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='BP86', mode='CP', basis='dz', value=-1.7203)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='BP86', mode='CP', basis='dz', value=-4.1404)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='BP86', mode='CP', basis='dz', value=-16.9109)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='BP86', mode='CP', basis='dz', value=-13.0948)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='BP86', mode='CP', basis='dz', value=-16.7736)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='BP86', mode='CP', basis='dz', value=-13.9250)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='BP86', mode='CP', basis='dz', value=-12.5063)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='BP86', mode='CP', basis='dz', value=0.7480)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='BP86', mode='CP', basis='dz', value=1.0432)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='BP86', mode='CP', basis='dz', value=1.1516)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='BP86', mode='CP', basis='dz', value=3.8859)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='BP86', mode='CP', basis='dz', value=2.8799)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='BP86', mode='CP', basis='dz', value=0.5099)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='BP86', mode='CP', basis='dz', value=4.7201)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='BP86', mode='CP', basis='dz', value=2.3830)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='BP86', mode='CP', basis='dz', value=-0.5342)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='BP86', mode='CP', basis='dz', value=-0.5688)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='BP86', mode='CP', basis='dz', value=0.3630)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='BP86', mode='CP', basis='dz', value=-1.5255)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='BP86', mode='CP', basis='dz', value=1.2343)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='BP86', mode='CP', basis='dz', value=-0.3475)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='BP86', mode='CP', basis='dz', value=-2.3254)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='BP86', mode='unCP', basis='tz', value=-3.1880)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='BP86', mode='unCP', basis='tz', value=-5.6628)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='BP86', mode='unCP', basis='tz', value=-18.8118)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='BP86', mode='unCP', basis='tz', value=-15.0823)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='BP86', mode='unCP', basis='tz', value=-18.2876)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='BP86', mode='unCP', basis='tz', value=-15.2711)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='BP86', mode='unCP', basis='tz', value=-14.1750)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='BP86', mode='unCP', basis='tz', value=0.7410)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='BP86', mode='unCP', basis='tz', value=0.7875)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='BP86', mode='unCP', basis='tz', value=0.9097)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='BP86', mode='unCP', basis='tz', value=3.3072)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='BP86', mode='unCP', basis='tz', value=2.0091)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='BP86', mode='unCP', basis='tz', value=-1.3606)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='BP86', mode='unCP', basis='tz', value=3.7698)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='BP86', mode='unCP', basis='tz', value=0.0809)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='BP86', mode='unCP', basis='tz', value=-0.5564)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='BP86', mode='unCP', basis='tz', value=-1.8518)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='BP86', mode='unCP', basis='tz', value=-0.2945)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='BP86', mode='unCP', basis='tz', value=-1.8606)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='BP86', mode='unCP', basis='tz', value=0.9848)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='BP86', mode='unCP', basis='tz', value=-0.9081)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='BP86', mode='unCP', basis='tz', value=-3.4885)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='BP86', mode='CP', basis='tz', value=-2.0132)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='BP86', mode='CP', basis='tz', value=-4.1325)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='BP86', mode='CP', basis='tz', value=-17.2816)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='BP86', mode='CP', basis='tz', value=-13.6421)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='BP86', mode='CP', basis='tz', value=-17.1891)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='BP86', mode='CP', basis='tz', value=-14.0123)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='BP86', mode='CP', basis='tz', value=-12.7570)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='BP86', mode='CP', basis='tz', value=0.7712)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='BP86', mode='CP', basis='tz', value=0.9368)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='BP86', mode='CP', basis='tz', value=1.0215)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='BP86', mode='CP', basis='tz', value=3.7033)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='BP86', mode='CP', basis='tz', value=2.6300)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='BP86', mode='CP', basis='tz', value=-0.1271)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='BP86', mode='CP', basis='tz', value=4.4606)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='BP86', mode='CP', basis='tz', value=1.7243)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='BP86', mode='CP', basis='tz', value=-0.4355)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='BP86', mode='CP', basis='tz', value=-0.8135)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='BP86', mode='CP', basis='tz', value=0.2192)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='BP86', mode='CP', basis='tz', value=-1.7251)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='BP86', mode='CP', basis='tz', value=1.1999)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='BP86', mode='CP', basis='tz', value=-0.4340)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='BP86', mode='CP', basis='tz', value=-2.3577)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='BP86', mode='unCP', basis='hadz', value=-1.9022)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='BP86', mode='unCP', basis='hadz', value=-4.5024)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='BP86', mode='unCP', basis='hadz', value=-17.3874)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='BP86', mode='unCP', basis='hadz', value=-13.9508)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='BP86', mode='unCP', basis='hadz', value=-17.8139)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='BP86', mode='unCP', basis='hadz', value=-14.5465)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='BP86', mode='unCP', basis='hadz', value=-13.4490)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='BP86', mode='unCP', basis='hadz', value=0.5767)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='BP86', mode='unCP', basis='hadz', value=0.7755)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='BP86', mode='unCP', basis='hadz', value=0.8384)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='BP86', mode='unCP', basis='hadz', value=2.9101)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='BP86', mode='unCP', basis='hadz', value=1.7492)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='BP86', mode='unCP', basis='hadz', value=-1.2389)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='BP86', mode='unCP', basis='hadz', value=3.1656)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='BP86', mode='unCP', basis='hadz', value=-0.0707)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='BP86', mode='unCP', basis='hadz', value=-0.5389)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='BP86', mode='unCP', basis='hadz', value=-1.2781)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='BP86', mode='unCP', basis='hadz', value=-0.0233)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='BP86', mode='unCP', basis='hadz', value=-1.8614)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='BP86', mode='unCP', basis='hadz', value=0.7213)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='BP86', mode='unCP', basis='hadz', value=-0.8907)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='BP86', mode='unCP', basis='hadz', value=-2.8822)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='BP86', mode='CP', basis='hadz', value=-1.7230)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='BP86', mode='CP', basis='hadz', value=-4.1086)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='BP86', mode='CP', basis='hadz', value=-16.8037)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='BP86', mode='CP', basis='hadz', value=-13.3865)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='BP86', mode='CP', basis='hadz', value=-17.0489)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='BP86', mode='CP', basis='hadz', value=-13.8220)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='BP86', mode='CP', basis='hadz', value=-12.6283)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='BP86', mode='CP', basis='hadz', value=0.7470)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='BP86', mode='CP', basis='hadz', value=1.0294)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='BP86', mode='CP', basis='hadz', value=1.0498)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='BP86', mode='CP', basis='hadz', value=3.5811)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='BP86', mode='CP', basis='hadz', value=2.5261)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='BP86', mode='CP', basis='hadz', value=-0.1001)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='BP86', mode='CP', basis='hadz', value=4.2609)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='BP86', mode='CP', basis='hadz', value=1.5286)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='BP86', mode='CP', basis='hadz', value=-0.3448)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='BP86', mode='CP', basis='hadz', value=-0.8702)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='BP86', mode='CP', basis='hadz', value=0.2077)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='BP86', mode='CP', basis='hadz', value=-1.4875)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='BP86', mode='CP', basis='hadz', value=1.2528)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='BP86', mode='CP', basis='hadz', value=-0.1853)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='BP86', mode='CP', basis='hadz', value=-2.2529)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='BP86', mode='unCP', basis='hatz', value=-1.9116)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='BP86', mode='unCP', basis='hatz', value=-4.1681)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='BP86', mode='unCP', basis='hatz', value=-17.2905)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='BP86', mode='unCP', basis='hatz', value=-13.7111)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='BP86', mode='unCP', basis='hatz', value=-17.4871)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='BP86', mode='unCP', basis='hatz', value=-14.1678)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='BP86', mode='unCP', basis='hatz', value=-13.0266)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='BP86', mode='unCP', basis='hatz', value=0.7418)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='BP86', mode='unCP', basis='hatz', value=0.9253)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='BP86', mode='unCP', basis='hatz', value=0.9771)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='BP86', mode='unCP', basis='hatz', value=3.4624)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='BP86', mode='unCP', basis='hatz', value=2.3144)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='BP86', mode='unCP', basis='hatz', value=-0.5808)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='BP86', mode='unCP', basis='hatz', value=4.0490)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='BP86', mode='unCP', basis='hatz', value=1.0509)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='BP86', mode='unCP', basis='hatz', value=-0.4708)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='BP86', mode='unCP', basis='hatz', value=-1.0329)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='BP86', mode='unCP', basis='hatz', value=0.1166)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='BP86', mode='unCP', basis='hatz', value=-1.7806)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='BP86', mode='unCP', basis='hatz', value=1.0822)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='BP86', mode='unCP', basis='hatz', value=-0.5866)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='BP86', mode='unCP', basis='hatz', value=-2.5505)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='BP86', mode='CP', basis='hatz', value=-1.8666)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='BP86', mode='CP', basis='hatz', value=-4.0894)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='BP86', mode='CP', basis='hatz', value=-17.0955)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='BP86', mode='CP', basis='hatz', value=-13.5519)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='BP86', mode='CP', basis='hatz', value=-17.2351)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='BP86', mode='CP', basis='hatz', value=-13.9193)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='BP86', mode='CP', basis='hatz', value=-12.7349)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='BP86', mode='CP', basis='hatz', value=0.7675)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='BP86', mode='CP', basis='hatz', value=0.9631)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='BP86', mode='CP', basis='hatz', value=1.0526)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='BP86', mode='CP', basis='hatz', value=3.6555)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='BP86', mode='CP', basis='hatz', value=2.5683)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='BP86', mode='CP', basis='hatz', value=-0.1939)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='BP86', mode='CP', basis='hatz', value=4.3661)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='BP86', mode='CP', basis='hatz', value=1.5797)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='BP86', mode='CP', basis='hatz', value=-0.3981)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='BP86', mode='CP', basis='hatz', value=-0.8846)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='BP86', mode='CP', basis='hatz', value=0.1956)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='BP86', mode='CP', basis='hatz', value=-1.6471)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='BP86', mode='CP', basis='hatz', value=1.2313)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='BP86', mode='CP', basis='hatz', value=-0.3536)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='BP86', mode='CP', basis='hatz', value=-2.3292)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='B97', mode='unCP', basis='adz', value=-1.6138)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='B97', mode='unCP', basis='adz', value=-3.5292)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='B97', mode='unCP', basis='adz', value=-14.8224)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='B97', mode='unCP', basis='adz', value=-11.9389)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='B97', mode='unCP', basis='adz', value=-15.6309)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='B97', mode='unCP', basis='adz', value=-12.2784)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='B97', mode='unCP', basis='adz', value=-11.2413)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='B97', mode='unCP', basis='adz', value=0.1846)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='B97', mode='unCP', basis='adz', value=0.8099)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='B97', mode='unCP', basis='adz', value=0.8637)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='B97', mode='unCP', basis='adz', value=3.6758)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='B97', mode='unCP', basis='adz', value=3.0400)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='B97', mode='unCP', basis='adz', value=0.7609)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='B97', mode='unCP', basis='adz', value=4.9500)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='B97', mode='unCP', basis='adz', value=3.4394)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='B97', mode='unCP', basis='adz', value=-0.7549)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='B97', mode='unCP', basis='adz', value=-0.8575)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='B97', mode='unCP', basis='adz', value=0.0364)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='B97', mode='unCP', basis='adz', value=-1.3901)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='B97', mode='unCP', basis='adz', value=0.9853)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='B97', mode='unCP', basis='adz', value=-0.2453)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='B97', mode='unCP', basis='adz', value=-1.6396)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='B97', mode='unCP', basis='atz', value=-1.4236)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='B97', mode='unCP', basis='atz', value=-3.4072)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='B97', mode='unCP', basis='atz', value=-14.6948)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='B97', mode='unCP', basis='atz', value=-11.5301)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='B97', mode='unCP', basis='atz', value=-15.1523)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='B97', mode='unCP', basis='atz', value=-11.8008)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='B97', mode='unCP', basis='atz', value=-10.6380)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='B97', mode='unCP', basis='atz', value=0.4598)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='B97', mode='unCP', basis='atz', value=1.1219)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='B97', mode='unCP', basis='atz', value=1.1765)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='B97', mode='unCP', basis='atz', value=4.4497)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='B97', mode='unCP', basis='atz', value=3.6648)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='B97', mode='unCP', basis='atz', value=1.4197)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='B97', mode='unCP', basis='atz', value=5.9556)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='B97', mode='unCP', basis='atz', value=4.6033)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='B97', mode='unCP', basis='atz', value=-0.4719)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='B97', mode='unCP', basis='atz', value=-0.6032)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='B97', mode='unCP', basis='atz', value=0.3541)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='B97', mode='unCP', basis='atz', value=-1.0732)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='B97', mode='unCP', basis='atz', value=1.6263)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='B97', mode='unCP', basis='atz', value=0.4854)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='B97', mode='unCP', basis='atz', value=-1.1556)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='B97', mode='unCP', basis='hadz', value=-1.4438)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='B97', mode='unCP', basis='hadz', value=-3.8067)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='B97', mode='unCP', basis='hadz', value=-14.7014)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='B97', mode='unCP', basis='hadz', value=-11.7433)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='B97', mode='unCP', basis='hadz', value=-15.3999)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='B97', mode='unCP', basis='hadz', value=-12.0855)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='B97', mode='unCP', basis='hadz', value=-10.9848)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='B97', mode='unCP', basis='hadz', value=0.3075)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='B97', mode='unCP', basis='hadz', value=0.9946)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='B97', mode='unCP', basis='hadz', value=1.0649)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='B97', mode='unCP', basis='hadz', value=3.8952)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='B97', mode='unCP', basis='hadz', value=3.1184)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='B97', mode='unCP', basis='hadz', value=0.7286)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='B97', mode='unCP', basis='hadz', value=5.1225)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='B97', mode='unCP', basis='hadz', value=3.5877)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='B97', mode='unCP', basis='hadz', value=-0.5612)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='B97', mode='unCP', basis='hadz', value=-0.9725)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='B97', mode='unCP', basis='hadz', value=0.1935)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='B97', mode='unCP', basis='hadz', value=-1.1518)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='B97', mode='unCP', basis='hadz', value=1.2803)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='B97', mode='unCP', basis='hadz', value=0.1971)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='B97', mode='unCP', basis='hadz', value=-1.4969)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='B97', mode='unCP', basis='hatz', value=-1.4363)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='B97', mode='unCP', basis='hatz', value=-3.4324)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='B97', mode='unCP', basis='hatz', value=-14.5773)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='B97', mode='unCP', basis='hatz', value=-11.4575)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='B97', mode='unCP', basis='hatz', value=-15.0582)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='B97', mode='unCP', basis='hatz', value=-11.7154)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='B97', mode='unCP', basis='hatz', value=-10.5650)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='B97', mode='unCP', basis='hatz', value=0.4659)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='B97', mode='unCP', basis='hatz', value=1.1528)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='B97', mode='unCP', basis='hatz', value=1.2324)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='B97', mode='unCP', basis='hatz', value=4.4646)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='B97', mode='unCP', basis='hatz', value=3.7035)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='B97', mode='unCP', basis='hatz', value=1.4616)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='B97', mode='unCP', basis='hatz', value=5.9803)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='B97', mode='unCP', basis='hatz', value=4.6327)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='B97', mode='unCP', basis='hatz', value=-0.4571)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='B97', mode='unCP', basis='hatz', value=-0.6063)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='B97', mode='unCP', basis='hatz', value=0.4023)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='B97', mode='unCP', basis='hatz', value=-0.9855)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='B97', mode='unCP', basis='hatz', value=1.6513)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='B97', mode='unCP', basis='hatz', value=0.5592)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='B97', mode='unCP', basis='hatz', value=-1.0966)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='WB97XD', mode='unCP', basis='adz', value=-3.2299)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='WB97XD', mode='unCP', basis='adz', value=-5.1519)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='WB97XD', mode='unCP', basis='adz', value=-19.8130)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='WB97XD', mode='unCP', basis='adz', value=-16.8349)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='WB97XD', mode='unCP', basis='adz', value=-21.4258)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='WB97XD', mode='unCP', basis='adz', value=-18.0920)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='WB97XD', mode='unCP', basis='adz', value=-17.5215)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='WB97XD', mode='unCP', basis='adz', value=-0.9071)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='WB97XD', mode='unCP', basis='adz', value=-2.0858)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='WB97XD', mode='unCP', basis='adz', value=-2.1120)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='WB97XD', mode='unCP', basis='adz', value=-4.3065)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='WB97XD', mode='unCP', basis='adz', value=-5.3445)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='WB97XD', mode='unCP', basis='adz', value=-11.0426)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='WB97XD', mode='unCP', basis='adz', value=-6.6109)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='WB97XD', mode='unCP', basis='adz', value=-13.7099)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='WB97XD', mode='unCP', basis='adz', value=-1.9714)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='WB97XD', mode='unCP', basis='adz', value=-3.8331)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='WB97XD', mode='unCP', basis='adz', value=-2.9266)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='WB97XD', mode='unCP', basis='adz', value=-5.2887)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='WB97XD', mode='unCP', basis='adz', value=-3.7351)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='WB97XD', mode='unCP', basis='adz', value=-6.7504)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='WB97XD', mode='unCP', basis='adz', value=-7.7283)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='WB97XD', mode='CP', basis='adz', value=-2.9548)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='WB97XD', mode='CP', basis='adz', value=-4.9389)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='WB97XD', mode='CP', basis='adz', value=-19.1806)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='WB97XD', mode='CP', basis='adz', value=-16.1578)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='WB97XD', mode='CP', basis='adz', value=-20.4476)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='WB97XD', mode='CP', basis='adz', value=-17.0879)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='WB97XD', mode='CP', basis='adz', value=-16.4670)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='WB97XD', mode='CP', basis='adz', value=-0.6329)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='WB97XD', mode='CP', basis='adz', value=-1.7411)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='WB97XD', mode='CP', basis='adz', value=-1.6819)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='WB97XD', mode='CP', basis='adz', value=-3.3766)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='WB97XD', mode='CP', basis='adz', value=-4.4433)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='WB97XD', mode='CP', basis='adz', value=-9.8710)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='WB97XD', mode='CP', basis='adz', value=-5.3351)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='WB97XD', mode='CP', basis='adz', value=-12.0321)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='WB97XD', mode='CP', basis='adz', value=-1.5966)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='WB97XD', mode='CP', basis='adz', value=-3.4466)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='WB97XD', mode='CP', basis='adz', value=-2.4792)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='WB97XD', mode='CP', basis='adz', value=-4.6687)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='WB97XD', mode='CP', basis='adz', value=-2.8967)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='WB97XD', mode='CP', basis='adz', value=-5.6288)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='WB97XD', mode='CP', basis='adz', value=-6.9661)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='WB97XD', mode='unCP', basis='atz', value=-3.0437)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='WB97XD', mode='unCP', basis='atz', value=-5.0204)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='WB97XD', mode='unCP', basis='atz', value=-19.6415)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='WB97XD', mode='unCP', basis='atz', value=-16.3790)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='WB97XD', mode='unCP', basis='atz', value=-20.8119)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='WB97XD', mode='unCP', basis='atz', value=-17.4041)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='WB97XD', mode='unCP', basis='atz', value=-16.8382)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='WB97XD', mode='unCP', basis='atz', value=-0.5517)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='WB97XD', mode='unCP', basis='atz', value=-1.7723)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='WB97XD', mode='unCP', basis='atz', value=-1.7935)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='WB97XD', mode='unCP', basis='atz', value=-3.2719)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='WB97XD', mode='unCP', basis='atz', value=-4.4205)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='WB97XD', mode='unCP', basis='atz', value=-10.2248)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='WB97XD', mode='unCP', basis='atz', value=-5.2943)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='WB97XD', mode='unCP', basis='atz', value=-12.3329)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='WB97XD', mode='unCP', basis='atz', value=-1.7037)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='WB97XD', mode='unCP', basis='atz', value=-3.6477)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='WB97XD', mode='unCP', basis='atz', value=-2.6545)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='WB97XD', mode='unCP', basis='atz', value=-4.9373)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='WB97XD', mode='unCP', basis='atz', value=-3.0668)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='WB97XD', mode='unCP', basis='atz', value=-5.9299)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='WB97XD', mode='unCP', basis='atz', value=-7.2139)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='WB97XD', mode='CP', basis='atz', value=-3.0112)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='WB97XD', mode='CP', basis='atz', value=-4.9337)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='WB97XD', mode='CP', basis='atz', value=-19.2947)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='WB97XD', mode='CP', basis='atz', value=-16.1315)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='WB97XD', mode='CP', basis='atz', value=-20.4136)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='WB97XD', mode='CP', basis='atz', value=-17.0788)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='WB97XD', mode='CP', basis='atz', value=-16.4382)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='WB97XD', mode='CP', basis='atz', value=-0.5348)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='WB97XD', mode='CP', basis='atz', value=-1.7044)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='WB97XD', mode='CP', basis='atz', value=-1.6776)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='WB97XD', mode='CP', basis='atz', value=-3.0337)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='WB97XD', mode='CP', basis='atz', value=-4.1581)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='WB97XD', mode='CP', basis='atz', value=-9.7198)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='WB97XD', mode='CP', basis='atz', value=-4.9472)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='WB97XD', mode='CP', basis='atz', value=-11.7711)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='WB97XD', mode='CP', basis='atz', value=-1.6089)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='WB97XD', mode='CP', basis='atz', value=-3.5017)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='WB97XD', mode='CP', basis='atz', value=-2.5261)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='WB97XD', mode='CP', basis='atz', value=-4.7357)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='WB97XD', mode='CP', basis='atz', value=-2.8493)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='WB97XD', mode='CP', basis='atz', value=-5.6227)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='WB97XD', mode='CP', basis='atz', value=-6.9069)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='WB97XD', mode='unCP', basis='dz', value=-5.1946)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='WB97XD', mode='unCP', basis='dz', value=-7.8872)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='WB97XD', mode='unCP', basis='dz', value=-24.0958)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='WB97XD', mode='unCP', basis='dz', value=-20.4206)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='WB97XD', mode='unCP', basis='dz', value=-23.7904)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='WB97XD', mode='unCP', basis='dz', value=-20.8470)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='WB97XD', mode='unCP', basis='dz', value=-20.6061)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='WB97XD', mode='unCP', basis='dz', value=-0.6295)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='WB97XD', mode='unCP', basis='dz', value=-1.9803)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='WB97XD', mode='unCP', basis='dz', value=-1.9243)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='WB97XD', mode='unCP', basis='dz', value=-4.0284)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='WB97XD', mode='unCP', basis='dz', value=-5.4816)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='WB97XD', mode='unCP', basis='dz', value=-12.1590)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='WB97XD', mode='unCP', basis='dz', value=-6.3829)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='WB97XD', mode='unCP', basis='dz', value=-15.0487)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='WB97XD', mode='unCP', basis='dz', value=-2.0394)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='WB97XD', mode='unCP', basis='dz', value=-4.0635)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='WB97XD', mode='unCP', basis='dz', value=-2.8332)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='WB97XD', mode='unCP', basis='dz', value=-5.1031)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='WB97XD', mode='unCP', basis='dz', value=-3.4229)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='WB97XD', mode='unCP', basis='dz', value=-6.5226)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='WB97XD', mode='unCP', basis='dz', value=-9.6968)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='WB97XD', mode='CP', basis='dz', value=-2.7383)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='WB97XD', mode='CP', basis='dz', value=-4.9849)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='WB97XD', mode='CP', basis='dz', value=-19.0851)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='WB97XD', mode='CP', basis='dz', value=-15.7068)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='WB97XD', mode='CP', basis='dz', value=-20.1623)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='WB97XD', mode='CP', basis='dz', value=-17.1175)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='WB97XD', mode='CP', basis='dz', value=-16.2794)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='WB97XD', mode='CP', basis='dz', value=-0.5127)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='WB97XD', mode='CP', basis='dz', value=-1.4776)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='WB97XD', mode='CP', basis='dz', value=-1.5693)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='WB97XD', mode='CP', basis='dz', value=-3.0001)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='WB97XD', mode='CP', basis='dz', value=-4.0146)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='WB97XD', mode='CP', basis='dz', value=-9.1222)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='WB97XD', mode='CP', basis='dz', value=-4.8246)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='WB97XD', mode='CP', basis='dz', value=-11.0889)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='WB97XD', mode='CP', basis='dz', value=-1.7194)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='WB97XD', mode='CP', basis='dz', value=-3.0331)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='WB97XD', mode='CP', basis='dz', value=-2.2658)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='WB97XD', mode='CP', basis='dz', value=-4.6031)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='WB97XD', mode='CP', basis='dz', value=-2.8205)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='WB97XD', mode='CP', basis='dz', value=-5.5782)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='WB97XD', mode='CP', basis='dz', value=-6.8996)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='WB97XD', mode='unCP', basis='tz', value=-4.0518)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='WB97XD', mode='unCP', basis='tz', value=-6.1738)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='WB97XD', mode='unCP', basis='tz', value=-20.8119)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='WB97XD', mode='unCP', basis='tz', value=-17.4939)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='WB97XD', mode='unCP', basis='tz', value=-21.4346)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='WB97XD', mode='unCP', basis='tz', value=-18.3241)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='WB97XD', mode='unCP', basis='tz', value=-17.7510)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='WB97XD', mode='unCP', basis='tz', value=-0.5547)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='WB97XD', mode='unCP', basis='tz', value=-1.8307)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='WB97XD', mode='unCP', basis='tz', value=-1.8102)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='WB97XD', mode='unCP', basis='tz', value=-3.3207)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='WB97XD', mode='unCP', basis='tz', value=-4.6261)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='WB97XD', mode='unCP', basis='tz', value=-10.8090)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='WB97XD', mode='unCP', basis='tz', value=-5.4336)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='WB97XD', mode='unCP', basis='tz', value=-13.1308)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='WB97XD', mode='unCP', basis='tz', value=-1.7234)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='WB97XD', mode='unCP', basis='tz', value=-4.1965)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='WB97XD', mode='unCP', basis='tz', value=-2.8775)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='WB97XD', mode='unCP', basis='tz', value=-4.8911)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='WB97XD', mode='unCP', basis='tz', value=-3.0684)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='WB97XD', mode='unCP', basis='tz', value=-6.1125)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='WB97XD', mode='unCP', basis='tz', value=-7.9090)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='WB97XD', mode='CP', basis='tz', value=-3.0844)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='WB97XD', mode='CP', basis='tz', value=-4.9637)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='WB97XD', mode='CP', basis='tz', value=-19.4666)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='WB97XD', mode='CP', basis='tz', value=-16.2084)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='WB97XD', mode='CP', basis='tz', value=-20.4538)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='WB97XD', mode='CP', basis='tz', value=-17.1808)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='WB97XD', mode='CP', basis='tz', value=-16.5044)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='WB97XD', mode='CP', basis='tz', value=-0.5308)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='WB97XD', mode='CP', basis='tz', value=-1.6881)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='WB97XD', mode='CP', basis='tz', value=-1.6998)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='WB97XD', mode='CP', basis='tz', value=-2.9430)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='WB97XD', mode='CP', basis='tz', value=-4.0654)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='WB97XD', mode='CP', basis='tz', value=-9.6460)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='WB97XD', mode='CP', basis='tz', value=-4.8004)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='WB97XD', mode='CP', basis='tz', value=-11.6026)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='WB97XD', mode='CP', basis='tz', value=-1.6150)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='WB97XD', mode='CP', basis='tz', value=-3.3617)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='WB97XD', mode='CP', basis='tz', value=-2.4519)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='WB97XD', mode='CP', basis='tz', value=-4.7560)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='WB97XD', mode='CP', basis='tz', value=-2.8594)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='WB97XD', mode='CP', basis='tz', value=-5.6791)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='WB97XD', mode='CP', basis='tz', value=-6.9123)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='WB97XD', mode='unCP', basis='hadz', value=-3.0331)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='WB97XD', mode='unCP', basis='hadz', value=-5.3508)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='WB97XD', mode='unCP', basis='hadz', value=-19.6774)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='WB97XD', mode='unCP', basis='hadz', value=-16.6450)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='WB97XD', mode='unCP', basis='hadz', value=-21.1218)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='WB97XD', mode='unCP', basis='hadz', value=-17.7345)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='WB97XD', mode='unCP', basis='hadz', value=-17.1845)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='WB97XD', mode='unCP', basis='hadz', value=-0.7307)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='WB97XD', mode='unCP', basis='hadz', value=-1.8178)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='WB97XD', mode='unCP', basis='hadz', value=-1.9425)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='WB97XD', mode='unCP', basis='hadz', value=-4.0425)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='WB97XD', mode='unCP', basis='hadz', value=-5.1674)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='WB97XD', mode='unCP', basis='hadz', value=-10.9741)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='WB97XD', mode='unCP', basis='hadz', value=-6.3786)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='WB97XD', mode='unCP', basis='hadz', value=-13.5454)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='WB97XD', mode='unCP', basis='hadz', value=-1.7994)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='WB97XD', mode='unCP', basis='hadz', value=-3.8687)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='WB97XD', mode='unCP', basis='hadz', value=-2.7901)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='WB97XD', mode='unCP', basis='hadz', value=-5.1031)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='WB97XD', mode='unCP', basis='hadz', value=-3.4605)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='WB97XD', mode='unCP', basis='hadz', value=-6.3398)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='WB97XD', mode='unCP', basis='hadz', value=-7.5543)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='WB97XD', mode='CP', basis='hadz', value=-2.8866)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='WB97XD', mode='CP', basis='hadz', value=-5.0211)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='WB97XD', mode='CP', basis='hadz', value=-19.1331)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='WB97XD', mode='CP', basis='hadz', value=-16.1053)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='WB97XD', mode='CP', basis='hadz', value=-20.4187)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='WB97XD', mode='CP', basis='hadz', value=-17.0712)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='WB97XD', mode='CP', basis='hadz', value=-16.4444)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='WB97XD', mode='CP', basis='hadz', value=-0.5722)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='WB97XD', mode='CP', basis='hadz', value=-1.5860)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='WB97XD', mode='CP', basis='hadz', value=-1.7352)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='WB97XD', mode='CP', basis='hadz', value=-3.3562)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='WB97XD', mode='CP', basis='hadz', value=-4.4467)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='WB97XD', mode='CP', basis='hadz', value=-9.8559)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='WB97XD', mode='CP', basis='hadz', value=-5.3100)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='WB97XD', mode='CP', basis='hadz', value=-12.0437)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='WB97XD', mode='CP', basis='hadz', value=-1.6247)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='WB97XD', mode='CP', basis='hadz', value=-3.5033)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='WB97XD', mode='CP', basis='hadz', value=-2.5737)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='WB97XD', mode='CP', basis='hadz', value=-4.7294)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='WB97XD', mode='CP', basis='hadz', value=-2.9505)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='WB97XD', mode='CP', basis='hadz', value=-5.6848)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='WB97XD', mode='CP', basis='hadz', value=-6.9392)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='WB97XD', mode='unCP', basis='hatz', value=-3.0527)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='WB97XD', mode='unCP', basis='hatz', value=-5.0295)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='WB97XD', mode='unCP', basis='hatz', value=-19.5604)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='WB97XD', mode='unCP', basis='hatz', value=-16.3488)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='WB97XD', mode='unCP', basis='hatz', value=-20.7131)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='WB97XD', mode='unCP', basis='hatz', value=-17.3660)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='WB97XD', mode='unCP', basis='hatz', value=-16.7615)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='WB97XD', mode='unCP', basis='hatz', value=-0.5526)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='WB97XD', mode='unCP', basis='hatz', value=-1.7180)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='WB97XD', mode='unCP', basis='hatz', value=-1.7520)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='WB97XD', mode='unCP', basis='hatz', value=-3.2586)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='WB97XD', mode='unCP', basis='hatz', value=-4.4116)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='WB97XD', mode='unCP', basis='hatz', value=-10.1992)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='WB97XD', mode='unCP', basis='hatz', value=-5.2836)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='WB97XD', mode='unCP', basis='hatz', value=-12.3347)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='WB97XD', mode='unCP', basis='hatz', value=-1.6667)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='WB97XD', mode='unCP', basis='hatz', value=-3.6429)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='WB97XD', mode='unCP', basis='hatz', value=-2.6190)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='WB97XD', mode='unCP', basis='hatz', value=-4.8656)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='WB97XD', mode='unCP', basis='hatz', value=-3.0152)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='WB97XD', mode='unCP', basis='hatz', value=-5.8697)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='WB97XD', mode='unCP', basis='hatz', value=-7.1715)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='WB97XD', mode='CP', basis='hatz', value=-3.0114)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='WB97XD', mode='CP', basis='hatz', value=-4.9531)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='WB97XD', mode='CP', basis='hatz', value=-19.3126)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='WB97XD', mode='CP', basis='hatz', value=-16.1551)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='WB97XD', mode='CP', basis='hatz', value=-20.4316)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='WB97XD', mode='CP', basis='hatz', value=-17.0967)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='WB97XD', mode='CP', basis='hatz', value=-16.4564)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='WB97XD', mode='CP', basis='hatz', value=-0.5355)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='WB97XD', mode='CP', basis='hatz', value=-1.6881)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='WB97XD', mode='CP', basis='hatz', value=-1.6757)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='WB97XD', mode='CP', basis='hatz', value=-3.0422)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='WB97XD', mode='CP', basis='hatz', value=-4.1633)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='WB97XD', mode='CP', basis='hatz', value=-9.7343)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='WB97XD', mode='CP', basis='hatz', value=-4.9579)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='WB97XD', mode='CP', basis='hatz', value=-11.7705)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='WB97XD', mode='CP', basis='hatz', value=-1.6020)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='WB97XD', mode='CP', basis='hatz', value=-3.5113)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='WB97XD', mode='CP', basis='hatz', value=-2.5358)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='WB97XD', mode='CP', basis='hatz', value=-4.7173)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='WB97XD', mode='CP', basis='hatz', value=-2.8540)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='WB97XD', mode='CP', basis='hatz', value=-5.6365)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='WB97XD', mode='CP', basis='hatz', value=-6.9245)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='M052X', mode='unCP', basis='adz', value=-3.3277)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='M052X', mode='unCP', basis='adz', value=-5.1987)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='M052X', mode='unCP', basis='adz', value=-19.5973)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='M052X', mode='unCP', basis='adz', value=-16.2389)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='M052X', mode='unCP', basis='adz', value=-20.2906)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='M052X', mode='unCP', basis='adz', value=-16.3424)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='M052X', mode='unCP', basis='adz', value=-15.8592)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='M052X', mode='unCP', basis='adz', value=-0.9093)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='M052X', mode='unCP', basis='adz', value=-1.8709)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='M052X', mode='unCP', basis='adz', value=-1.6240)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='M052X', mode='unCP', basis='adz', value=-2.5896)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='M052X', mode='unCP', basis='adz', value=-4.0755)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='M052X', mode='unCP', basis='adz', value=-9.6098)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='M052X', mode='unCP', basis='adz', value=-4.2699)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='M052X', mode='unCP', basis='adz', value=-11.4920)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='M052X', mode='unCP', basis='adz', value=-1.8599)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='M052X', mode='unCP', basis='adz', value=-3.8912)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='M052X', mode='unCP', basis='adz', value=-2.6600)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='M052X', mode='unCP', basis='adz', value=-5.3390)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='M052X', mode='unCP', basis='adz', value=-2.9653)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='M052X', mode='unCP', basis='adz', value=-5.9899)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='M052X', mode='unCP', basis='adz', value=-6.7954)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='M052X', mode='CP', basis='adz', value=-3.0388)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='M052X', mode='CP', basis='adz', value=-4.9836)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='M052X', mode='CP', basis='adz', value=-18.9682)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='M052X', mode='CP', basis='adz', value=-15.5066)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='M052X', mode='CP', basis='adz', value=-19.2409)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='M052X', mode='CP', basis='adz', value=-15.1918)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='M052X', mode='CP', basis='adz', value=-14.6637)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='M052X', mode='CP', basis='adz', value=-0.5665)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='M052X', mode='CP', basis='adz', value=-1.4219)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='M052X', mode='CP', basis='adz', value=-1.0926)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='M052X', mode='CP', basis='adz', value=-1.4616)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='M052X', mode='CP', basis='adz', value=-3.0053)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='M052X', mode='CP', basis='adz', value=-8.3601)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='M052X', mode='CP', basis='adz', value=-2.7101)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='M052X', mode='CP', basis='adz', value=-9.5710)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='M052X', mode='CP', basis='adz', value=-1.4119)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='M052X', mode='CP', basis='adz', value=-3.4484)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='M052X', mode='CP', basis='adz', value=-2.1323)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='M052X', mode='CP', basis='adz', value=-4.6483)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='M052X', mode='CP', basis='adz', value=-1.9408)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='M052X', mode='CP', basis='adz', value=-4.6553)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='M052X', mode='CP', basis='adz', value=-5.9556)
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    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='M052X', mode='unCP', basis='atz', value=-16.2664)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='M052X', mode='unCP', basis='atz', value=-20.3173)
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    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='M052X', mode='unCP', basis='atz', value=-15.4452)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='M052X', mode='unCP', basis='atz', value=-0.5096)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='M052X', mode='unCP', basis='atz', value=-1.4527)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='M052X', mode='unCP', basis='atz', value=-1.1998)
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    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='M052X', mode='unCP', basis='atz', value=-8.8629)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='M052X', mode='unCP', basis='atz', value=-2.6949)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='M052X', mode='unCP', basis='atz', value=-9.9295)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='M052X', mode='unCP', basis='atz', value=-1.5414)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='M052X', mode='unCP', basis='atz', value=-3.7152)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='M052X', mode='unCP', basis='atz', value=-2.3512)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='M052X', mode='unCP', basis='atz', value=-5.0579)
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    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='M052X', mode='CP', basis='atz', value=-2.3129)
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    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='M052X', mode='CP', basis='atz', value=-1.4249)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='M052X', mode='CP', basis='atz', value=-3.5583)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='M052X', mode='CP', basis='atz', value=-2.2079)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='M052X', mode='CP', basis='atz', value=-4.8318)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='M052X', mode='CP', basis='atz', value=-1.9008)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='M052X', mode='CP', basis='atz', value=-4.7371)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='M052X', mode='CP', basis='atz', value=-6.0724)
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    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='M052X', mode='unCP', basis='dz', value=-7.9054)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='M052X', mode='unCP', basis='dz', value=-23.8753)
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    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='M052X', mode='unCP', basis='dz', value=-22.4875)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='M052X', mode='unCP', basis='dz', value=-18.8433)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='M052X', mode='unCP', basis='dz', value=-18.7622)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='M052X', mode='unCP', basis='dz', value=-0.5234)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='M052X', mode='unCP', basis='dz', value=-1.7122)
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    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='M052X', mode='unCP', basis='dz', value=-3.6201)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='M052X', mode='unCP', basis='dz', value=-12.4228)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='M052X', mode='unCP', basis='dz', value=-1.7849)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='M052X', mode='unCP', basis='dz', value=-3.9737)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='M052X', mode='unCP', basis='dz', value=-2.3737)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='M052X', mode='unCP', basis='dz', value=-4.9990)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='M052X', mode='unCP', basis='dz', value=-2.3934)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='M052X', mode='unCP', basis='dz', value=-5.4325)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='M052X', mode='unCP', basis='dz', value=-8.6857)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='M052X', mode='CP', basis='dz', value=-2.8361)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='M052X', mode='CP', basis='dz', value=-4.9603)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='M052X', mode='CP', basis='dz', value=-18.6503)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='M052X', mode='CP', basis='dz', value=-14.8215)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='M052X', mode='CP', basis='dz', value=-18.7602)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='M052X', mode='CP', basis='dz', value=-15.0507)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='M052X', mode='CP', basis='dz', value=-14.4038)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='M052X', mode='CP', basis='dz', value=-0.4268)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='M052X', mode='CP', basis='dz', value=-1.1939)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='M052X', mode='CP', basis='dz', value=-0.9237)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='M052X', mode='CP', basis='dz', value=-1.0167)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='M052X', mode='CP', basis='dz', value=-2.4079)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='M052X', mode='CP', basis='dz', value=-7.4433)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='M052X', mode='CP', basis='dz', value=-2.1110)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='M052X', mode='CP', basis='dz', value=-8.4295)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='M052X', mode='CP', basis='dz', value=-1.4646)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='M052X', mode='CP', basis='dz', value=-2.9941)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='M052X', mode='CP', basis='dz', value=-1.8266)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='M052X', mode='CP', basis='dz', value=-4.5008)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='M052X', mode='CP', basis='dz', value=-1.7970)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='M052X', mode='CP', basis='dz', value=-4.4849)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='M052X', mode='CP', basis='dz', value=-5.8742)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='M052X', mode='unCP', basis='tz', value=-4.0944)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='M052X', mode='unCP', basis='tz', value=-6.1947)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='M052X', mode='unCP', basis='tz', value=-20.8062)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='M052X', mode='unCP', basis='tz', value=-17.0456)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='M052X', mode='unCP', basis='tz', value=-20.5446)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='M052X', mode='unCP', basis='tz', value=-16.4482)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='M052X', mode='unCP', basis='tz', value=-16.0035)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='M052X', mode='unCP', basis='tz', value=-0.5116)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='M052X', mode='unCP', basis='tz', value=-1.5036)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='M052X', mode='unCP', basis='tz', value=-1.1789)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='M052X', mode='unCP', basis='tz', value=-1.4238)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='M052X', mode='unCP', basis='tz', value=-3.2196)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='M052X', mode='unCP', basis='tz', value=-9.3675)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='M052X', mode='unCP', basis='tz', value=-2.8325)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='M052X', mode='unCP', basis='tz', value=-10.6843)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='M052X', mode='unCP', basis='tz', value=-1.5183)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='M052X', mode='unCP', basis='tz', value=-4.1008)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='M052X', mode='unCP', basis='tz', value=-2.4508)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='M052X', mode='unCP', basis='tz', value=-4.8884)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='M052X', mode='unCP', basis='tz', value=-2.0449)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='M052X', mode='unCP', basis='tz', value=-5.0939)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='M052X', mode='unCP', basis='tz', value=-6.9496)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='M052X', mode='CP', basis='tz', value=-3.2037)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='M052X', mode='CP', basis='tz', value=-5.1115)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='M052X', mode='CP', basis='tz', value=-19.5820)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='M052X', mode='CP', basis='tz', value=-15.8777)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='M052X', mode='CP', basis='tz', value=-19.6838)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='M052X', mode='CP', basis='tz', value=-15.4306)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='M052X', mode='CP', basis='tz', value=-14.8960)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='M052X', mode='CP', basis='tz', value=-0.4860)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='M052X', mode='CP', basis='tz', value=-1.3675)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='M052X', mode='CP', basis='tz', value=-1.0802)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='M052X', mode='CP', basis='tz', value=-1.0835)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='M052X', mode='CP', basis='tz', value=-2.6760)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='M052X', mode='CP', basis='tz', value=-8.2504)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='M052X', mode='CP', basis='tz', value=-2.2225)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='M052X', mode='CP', basis='tz', value=-9.1837)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='M052X', mode='CP', basis='tz', value=-1.4287)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='M052X', mode='CP', basis='tz', value=-3.3636)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='M052X', mode='CP', basis='tz', value=-2.0736)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='M052X', mode='CP', basis='tz', value=-4.7731)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='M052X', mode='CP', basis='tz', value=-1.8707)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='M052X', mode='CP', basis='tz', value=-4.6915)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='M052X', mode='CP', basis='tz', value=-6.0215)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='M052X', mode='unCP', basis='hadz', value=-3.1552)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='M052X', mode='unCP', basis='hadz', value=-5.3632)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='M052X', mode='unCP', basis='hadz', value=-19.4170)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='M052X', mode='unCP', basis='hadz', value=-16.0126)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='M052X', mode='unCP', basis='hadz', value=-19.9638)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='M052X', mode='unCP', basis='hadz', value=-15.9195)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='M052X', mode='unCP', basis='hadz', value=-15.4578)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='M052X', mode='unCP', basis='hadz', value=-0.6626)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='M052X', mode='unCP', basis='hadz', value=-1.5814)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='M052X', mode='unCP', basis='hadz', value=-1.4053)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='M052X', mode='unCP', basis='hadz', value=-2.2562)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='M052X', mode='unCP', basis='hadz', value=-3.8526)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='M052X', mode='unCP', basis='hadz', value=-9.5829)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='M052X', mode='unCP', basis='hadz', value=-3.9737)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='M052X', mode='unCP', basis='hadz', value=-11.3213)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='M052X', mode='unCP', basis='hadz', value=-1.6240)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='M052X', mode='unCP', basis='hadz', value=-3.9291)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='M052X', mode='unCP', basis='hadz', value=-2.4994)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='M052X', mode='unCP', basis='hadz', value=-5.1305)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='M052X', mode='unCP', basis='hadz', value=-2.6400)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='M052X', mode='unCP', basis='hadz', value=-5.5064)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='M052X', mode='unCP', basis='hadz', value=-6.5930)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='M052X', mode='CP', basis='hadz', value=-2.9474)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='M052X', mode='CP', basis='hadz', value=-5.0245)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='M052X', mode='CP', basis='hadz', value=-18.8907)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='M052X', mode='CP', basis='hadz', value=-15.4432)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='M052X', mode='CP', basis='hadz', value=-19.1951)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='M052X', mode='CP', basis='hadz', value=-15.1563)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='M052X', mode='CP', basis='hadz', value=-14.6281)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='M052X', mode='CP', basis='hadz', value=-0.4937)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='M052X', mode='CP', basis='hadz', value=-1.2967)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='M052X', mode='CP', basis='hadz', value=-1.1571)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='M052X', mode='CP', basis='hadz', value=-1.4485)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='M052X', mode='CP', basis='hadz', value=-3.0071)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='M052X', mode='CP', basis='hadz', value=-8.3646)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='M052X', mode='CP', basis='hadz', value=-2.6990)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='M052X', mode='CP', basis='hadz', value=-9.6000)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='M052X', mode='CP', basis='hadz', value=-1.4035)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='M052X', mode='CP', basis='hadz', value=-3.5332)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='M052X', mode='CP', basis='hadz', value=-2.2357)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='M052X', mode='CP', basis='hadz', value=-4.7102)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='M052X', mode='CP', basis='hadz', value=-1.9987)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='M052X', mode='CP', basis='hadz', value=-4.6972)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='M052X', mode='CP', basis='hadz', value=-5.9155)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='M052X', mode='unCP', basis='hatz', value=-3.1654)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='M052X', mode='unCP', basis='hatz', value=-5.2101)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='M052X', mode='unCP', basis='hatz', value=-19.7918)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='M052X', mode='unCP', basis='hatz', value=-16.1470)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='M052X', mode='unCP', basis='hatz', value=-20.1445)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='M052X', mode='unCP', basis='hatz', value=-15.7553)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='M052X', mode='unCP', basis='hatz', value=-15.2854)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='M052X', mode='unCP', basis='hatz', value=-0.5121)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='M052X', mode='unCP', basis='hatz', value=-1.3975)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='M052X', mode='unCP', basis='hatz', value=-1.1713)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='M052X', mode='unCP', basis='hatz', value=-1.4339)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='M052X', mode='unCP', basis='hatz', value=-3.0942)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='M052X', mode='unCP', basis='hatz', value=-8.8443)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='M052X', mode='unCP', basis='hatz', value=-2.7291)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='M052X', mode='unCP', basis='hatz', value=-9.9441)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='M052X', mode='unCP', basis='hatz', value=-1.5015)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='M052X', mode='unCP', basis='hatz', value=-3.7057)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='M052X', mode='unCP', basis='hatz', value=-2.3145)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='M052X', mode='unCP', basis='hatz', value=-4.9840)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='M052X', mode='unCP', basis='hatz', value=-2.0907)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='M052X', mode='unCP', basis='hatz', value=-5.0109)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='M052X', mode='unCP', basis='hatz', value=-6.3553)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='M052X', mode='CP', basis='hatz', value=-3.1195)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='M052X', mode='CP', basis='hatz', value=-5.1419)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='M052X', mode='CP', basis='hatz', value=-19.5933)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='M052X', mode='CP', basis='hatz', value=-15.9819)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='M052X', mode='CP', basis='hatz', value=-19.8661)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='M052X', mode='CP', basis='hatz', value=-15.4979)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='M052X', mode='CP', basis='hatz', value=-14.9792)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='M052X', mode='CP', basis='hatz', value=-0.4857)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='M052X', mode='CP', basis='hatz', value=-1.3668)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='M052X', mode='CP', basis='hatz', value=-1.0696)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='M052X', mode='CP', basis='hatz', value=-1.1584)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='M052X', mode='CP', basis='hatz', value=-2.7982)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='M052X', mode='CP', basis='hatz', value=-8.3520)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='M052X', mode='CP', basis='hatz', value=-2.3321)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='M052X', mode='CP', basis='hatz', value=-9.3387)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='M052X', mode='CP', basis='hatz', value=-1.4212)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='M052X', mode='CP', basis='hatz', value=-3.5572)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='M052X', mode='CP', basis='hatz', value=-2.2098)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='M052X', mode='CP', basis='hatz', value=-4.8018)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='M052X', mode='CP', basis='hatz', value=-1.9001)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='M052X', mode='CP', basis='hatz', value=-4.7369)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='M052X', mode='CP', basis='hatz', value=-6.0799)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='M062X', mode='unCP', basis='adz', value=-3.4611)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='M062X', mode='unCP', basis='adz', value=-5.2030)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='M062X', mode='unCP', basis='adz', value=-19.4076)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='M062X', mode='unCP', basis='adz', value=-16.2207)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='M062X', mode='unCP', basis='adz', value=-20.2629)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='M062X', mode='unCP', basis='adz', value=-16.6091)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='M062X', mode='unCP', basis='adz', value=-16.0705)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='M062X', mode='unCP', basis='adz', value=-0.8590)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='M062X', mode='unCP', basis='adz', value=-1.9695)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='M062X', mode='unCP', basis='adz', value=-1.8182)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='M062X', mode='unCP', basis='adz', value=-3.9067)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='M062X', mode='unCP', basis='adz', value=-5.2717)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='M062X', mode='unCP', basis='adz', value=-11.1166)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='M062X', mode='unCP', basis='adz', value=-6.2525)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='M062X', mode='unCP', basis='adz', value=-14.1645)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='M062X', mode='unCP', basis='adz', value=-1.7233)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='M062X', mode='unCP', basis='adz', value=-3.8618)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='M062X', mode='unCP', basis='adz', value=-2.7384)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='M062X', mode='unCP', basis='adz', value=-5.3033)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='M062X', mode='unCP', basis='adz', value=-3.2766)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='M062X', mode='unCP', basis='adz', value=-6.3077)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='M062X', mode='unCP', basis='adz', value=-7.3393)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='M062X', mode='CP', basis='adz', value=-3.1617)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='M062X', mode='CP', basis='adz', value=-4.9893)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='M062X', mode='CP', basis='adz', value=-18.7444)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='M062X', mode='CP', basis='adz', value=-15.4827)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='M062X', mode='CP', basis='adz', value=-19.2398)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='M062X', mode='CP', basis='adz', value=-15.5185)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='M062X', mode='CP', basis='adz', value=-14.9660)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='M062X', mode='CP', basis='adz', value=-0.5290)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='M062X', mode='CP', basis='adz', value=-1.5664)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='M062X', mode='CP', basis='adz', value=-1.3123)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='M062X', mode='CP', basis='adz', value=-2.8347)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='M062X', mode='CP', basis='adz', value=-4.2677)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='M062X', mode='CP', basis='adz', value=-9.8892)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='M062X', mode='CP', basis='adz', value=-4.7771)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='M062X', mode='CP', basis='adz', value=-12.3391)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='M062X', mode='CP', basis='adz', value=-1.2811)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='M062X', mode='CP', basis='adz', value=-3.4561)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='M062X', mode='CP', basis='adz', value=-2.2424)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='M062X', mode='CP', basis='adz', value=-4.6485)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='M062X', mode='CP', basis='adz', value=-2.3399)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='M062X', mode='CP', basis='adz', value=-5.0648)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='M062X', mode='CP', basis='adz', value=-6.5146)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='M062X', mode='unCP', basis='atz', value=-3.1672)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='M062X', mode='unCP', basis='atz', value=-5.1537)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='M062X', mode='unCP', basis='atz', value=-19.5182)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='M062X', mode='unCP', basis='atz', value=-16.0105)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='M062X', mode='unCP', basis='atz', value=-20.0694)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='M062X', mode='unCP', basis='atz', value=-15.9774)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='M062X', mode='unCP', basis='atz', value=-15.5247)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='M062X', mode='unCP', basis='atz', value=-0.4190)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='M062X', mode='unCP', basis='atz', value=-1.5631)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='M062X', mode='unCP', basis='atz', value=-1.4286)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='M062X', mode='unCP', basis='atz', value=-2.6203)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='M062X', mode='unCP', basis='atz', value=-4.2155)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='M062X', mode='unCP', basis='atz', value=-10.2569)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='M062X', mode='unCP', basis='atz', value=-4.6268)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='M062X', mode='unCP', basis='atz', value=-12.6284)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='M062X', mode='unCP', basis='atz', value=-1.4137)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='M062X', mode='unCP', basis='atz', value=-3.7435)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='M062X', mode='unCP', basis='atz', value=-2.4590)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='M062X', mode='unCP', basis='atz', value=-5.0052)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='M062X', mode='unCP', basis='atz', value=-2.4374)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='M062X', mode='unCP', basis='atz', value=-5.3104)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='M062X', mode='unCP', basis='atz', value=-6.8876)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='M062X', mode='CP', basis='atz', value=-3.1399)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='M062X', mode='CP', basis='atz', value=-5.0728)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='M062X', mode='CP', basis='atz', value=-19.2367)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='M062X', mode='CP', basis='atz', value=-15.7791)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='M062X', mode='CP', basis='atz', value=-19.6857)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='M062X', mode='CP', basis='atz', value=-15.6634)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='M062X', mode='CP', basis='atz', value=-15.1319)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='M062X', mode='CP', basis='atz', value=-0.3975)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='M062X', mode='CP', basis='atz', value=-1.4860)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='M062X', mode='CP', basis='atz', value=-1.2757)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='M062X', mode='CP', basis='atz', value=-2.3145)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='M062X', mode='CP', basis='atz', value=-3.9235)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='M062X', mode='CP', basis='atz', value=-9.7691)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='M062X', mode='CP', basis='atz', value=-4.1961)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='M062X', mode='CP', basis='atz', value=-12.0407)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='M062X', mode='CP', basis='atz', value=-1.3041)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='M062X', mode='CP', basis='atz', value=-3.5723)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='M062X', mode='CP', basis='atz', value=-2.3006)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='M062X', mode='CP', basis='atz', value=-4.7730)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='M062X', mode='CP', basis='atz', value=-2.1780)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='M062X', mode='CP', basis='atz', value=-4.9587)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='M062X', mode='CP', basis='atz', value=-6.5581)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='M062X', mode='unCP', basis='dz', value=-5.4440)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='M062X', mode='unCP', basis='dz', value=-7.8517)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='M062X', mode='unCP', basis='dz', value=-23.2957)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='M062X', mode='unCP', basis='dz', value=-19.4368)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='M062X', mode='unCP', basis='dz', value=-22.3329)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='M062X', mode='unCP', basis='dz', value=-18.9838)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='M062X', mode='unCP', basis='dz', value=-18.8644)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='M062X', mode='unCP', basis='dz', value=-0.4710)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='M062X', mode='unCP', basis='dz', value=-1.7005)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='M062X', mode='unCP', basis='dz', value=-1.5162)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='M062X', mode='unCP', basis='dz', value=-3.2479)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='M062X', mode='unCP', basis='dz', value=-5.1253)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='M062X', mode='unCP', basis='dz', value=-12.0504)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='M062X', mode='unCP', basis='dz', value=-5.5676)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='M062X', mode='unCP', basis='dz', value=-15.1498)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='M062X', mode='unCP', basis='dz', value=-1.6817)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='M062X', mode='unCP', basis='dz', value=-4.0222)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='M062X', mode='unCP', basis='dz', value=-2.5398)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='M062X', mode='unCP', basis='dz', value=-5.0380)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='M062X', mode='unCP', basis='dz', value=-2.7550)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='M062X', mode='unCP', basis='dz', value=-5.7904)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='M062X', mode='unCP', basis='dz', value=-9.1232)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='M062X', mode='CP', basis='dz', value=-2.9859)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='M062X', mode='CP', basis='dz', value=-5.0135)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='M062X', mode='CP', basis='dz', value=-18.3954)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='M062X', mode='CP', basis='dz', value=-14.8250)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='M062X', mode='CP', basis='dz', value=-18.7795)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='M062X', mode='CP', basis='dz', value=-15.3883)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='M062X', mode='CP', basis='dz', value=-14.6985)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='M062X', mode='CP', basis='dz', value=-0.3457)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='M062X', mode='CP', basis='dz', value=-1.1431)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='M062X', mode='CP', basis='dz', value=-1.1553)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='M062X', mode='CP', basis='dz', value=-2.1978)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='M062X', mode='CP', basis='dz', value=-3.6267)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='M062X', mode='CP', basis='dz', value=-8.8910)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='M062X', mode='CP', basis='dz', value=-3.9461)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='M062X', mode='CP', basis='dz', value=-11.0331)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='M062X', mode='CP', basis='dz', value=-1.3807)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='M062X', mode='CP', basis='dz', value=-3.0151)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='M062X', mode='CP', basis='dz', value=-1.9687)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='M062X', mode='CP', basis='dz', value=-4.5683)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='M062X', mode='CP', basis='dz', value=-2.1523)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='M062X', mode='CP', basis='dz', value=-4.8189)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='M062X', mode='CP', basis='dz', value=-6.3411)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='M062X', mode='unCP', basis='tz', value=-4.1575)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='M062X', mode='unCP', basis='tz', value=-6.2244)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='M062X', mode='unCP', basis='tz', value=-20.4562)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='M062X', mode='unCP', basis='tz', value=-16.8397)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='M062X', mode='unCP', basis='tz', value=-20.3682)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='M062X', mode='unCP', basis='tz', value=-16.6181)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='M062X', mode='unCP', basis='tz', value=-16.1734)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='M062X', mode='unCP', basis='tz', value=-0.4146)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='M062X', mode='unCP', basis='tz', value=-1.5486)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='M062X', mode='unCP', basis='tz', value=-1.3726)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='M062X', mode='unCP', basis='tz', value=-2.5432)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='M062X', mode='unCP', basis='tz', value=-4.3322)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='M062X', mode='unCP', basis='tz', value=-10.7717)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='M062X', mode='unCP', basis='tz', value=-4.6372)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='M062X', mode='unCP', basis='tz', value=-13.3774)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='M062X', mode='unCP', basis='tz', value=-1.4068)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='M062X', mode='unCP', basis='tz', value=-4.1664)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='M062X', mode='unCP', basis='tz', value=-2.5785)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='M062X', mode='unCP', basis='tz', value=-4.8646)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='M062X', mode='unCP', basis='tz', value=-2.3498)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='M062X', mode='unCP', basis='tz', value=-5.3733)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='M062X', mode='unCP', basis='tz', value=-7.4349)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='M062X', mode='CP', basis='tz', value=-3.2189)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='M062X', mode='CP', basis='tz', value=-5.0542)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='M062X', mode='CP', basis='tz', value=-19.2028)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='M062X', mode='CP', basis='tz', value=-15.6417)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='M062X', mode='CP', basis='tz', value=-19.4730)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='M062X', mode='CP', basis='tz', value=-15.5631)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='M062X', mode='CP', basis='tz', value=-15.0267)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='M062X', mode='CP', basis='tz', value=-0.3891)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='M062X', mode='CP', basis='tz', value=-1.3918)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='M062X', mode='CP', basis='tz', value=-1.2704)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='M062X', mode='CP', basis='tz', value=-2.1591)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='M062X', mode='CP', basis='tz', value=-3.7575)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='M062X', mode='CP', basis='tz', value=-9.5671)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='M062X', mode='CP', basis='tz', value=-3.9652)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='M062X', mode='CP', basis='tz', value=-11.7704)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='M062X', mode='CP', basis='tz', value=-1.3034)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='M062X', mode='CP', basis='tz', value=-3.3720)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='M062X', mode='CP', basis='tz', value=-2.1741)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='M062X', mode='CP', basis='tz', value=-4.7405)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='M062X', mode='CP', basis='tz', value=-2.1529)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='M062X', mode='CP', basis='tz', value=-4.9104)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='M062X', mode='CP', basis='tz', value=-6.4499)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='M062X', mode='unCP', basis='hadz', value=-3.2229)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='M062X', mode='unCP', basis='hadz', value=-5.3602)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='M062X', mode='unCP', basis='hadz', value=-19.2328)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='M062X', mode='unCP', basis='hadz', value=-16.0022)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='M062X', mode='unCP', basis='hadz', value=-19.9394)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='M062X', mode='unCP', basis='hadz', value=-16.2030)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='M062X', mode='unCP', basis='hadz', value=-15.7055)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='M062X', mode='unCP', basis='hadz', value=-0.6044)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='M062X', mode='unCP', basis='hadz', value=-1.6115)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='M062X', mode='unCP', basis='hadz', value=-1.6320)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='M062X', mode='unCP', basis='hadz', value=-3.5476)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='M062X', mode='unCP', basis='hadz', value=-5.0392)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='M062X', mode='unCP', basis='hadz', value=-11.0433)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='M062X', mode='unCP', basis='hadz', value=-5.9191)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='M062X', mode='unCP', basis='hadz', value=-13.9442)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='M062X', mode='unCP', basis='hadz', value=-1.5205)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='M062X', mode='unCP', basis='hadz', value=-3.8782)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='M062X', mode='unCP', basis='hadz', value=-2.5798)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='M062X', mode='unCP', basis='hadz', value=-5.1052)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='M062X', mode='unCP', basis='hadz', value=-2.9693)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='M062X', mode='unCP', basis='hadz', value=-5.8331)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='M062X', mode='unCP', basis='hadz', value=-7.1083)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='M062X', mode='CP', basis='hadz', value=-3.0595)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='M062X', mode='CP', basis='hadz', value=-5.0420)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='M062X', mode='CP', basis='hadz', value=-18.6849)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='M062X', mode='CP', basis='hadz', value=-15.4242)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='M062X', mode='CP', basis='hadz', value=-19.2074)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='M062X', mode='CP', basis='hadz', value=-15.4915)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='M062X', mode='CP', basis='hadz', value=-14.9336)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='M062X', mode='CP', basis='hadz', value=-0.4195)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='M062X', mode='CP', basis='hadz', value=-1.3375)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='M062X', mode='CP', basis='hadz', value=-1.3973)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='M062X', mode='CP', basis='hadz', value=-2.7764)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='M062X', mode='CP', basis='hadz', value=-4.2606)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='M062X', mode='CP', basis='hadz', value=-9.8722)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='M062X', mode='CP', basis='hadz', value=-4.7147)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='M062X', mode='CP', basis='hadz', value=-12.3284)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='M062X', mode='CP', basis='hadz', value=-1.3042)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='M062X', mode='CP', basis='hadz', value=-3.5088)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='M062X', mode='CP', basis='hadz', value=-2.3503)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='M062X', mode='CP', basis='hadz', value=-4.7314)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='M062X', mode='CP', basis='hadz', value=-2.3988)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='M062X', mode='CP', basis='hadz', value=-5.1014)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='M062X', mode='CP', basis='hadz', value=-6.4566)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='M062X', mode='unCP', basis='hatz', value=-3.1765)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='M062X', mode='unCP', basis='hatz', value=-5.1539)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='M062X', mode='unCP', basis='hatz', value=-19.4091)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='M062X', mode='unCP', basis='hatz', value=-15.9211)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='M062X', mode='unCP', basis='hatz', value=-19.9289)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='M062X', mode='unCP', basis='hatz', value=-15.8857)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='M062X', mode='unCP', basis='hatz', value=-15.3999)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='M062X', mode='unCP', basis='hatz', value=-0.4154)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='M062X', mode='unCP', basis='hatz', value=-1.4705)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='M062X', mode='unCP', basis='hatz', value=-1.3615)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='M062X', mode='unCP', basis='hatz', value=-2.6085)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='M062X', mode='unCP', basis='hatz', value=-4.2160)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='M062X', mode='unCP', basis='hatz', value=-10.2419)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='M062X', mode='unCP', basis='hatz', value=-4.6243)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='M062X', mode='unCP', basis='hatz', value=-12.6368)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='M062X', mode='unCP', basis='hatz', value=-1.3723)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='M062X', mode='unCP', basis='hatz', value=-3.7233)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='M062X', mode='unCP', basis='hatz', value=-2.4052)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='M062X', mode='unCP', basis='hatz', value=-4.9063)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='M062X', mode='unCP', basis='hatz', value=-2.3697)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='M062X', mode='unCP', basis='hatz', value=-5.2578)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='M062X', mode='unCP', basis='hatz', value=-6.8307)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='M062X', mode='CP', basis='hatz', value=-3.1353)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='M062X', mode='CP', basis='hatz', value=-5.0866)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='M062X', mode='CP', basis='hatz', value=-19.2294)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='M062X', mode='CP', basis='hatz', value=-15.7684)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='M062X', mode='CP', basis='hatz', value=-19.6659)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='M062X', mode='CP', basis='hatz', value=-15.6364)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='M062X', mode='CP', basis='hatz', value=-15.1134)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='M062X', mode='CP', basis='hatz', value=-0.3924)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='M062X', mode='CP', basis='hatz', value=-1.4338)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='M062X', mode='CP', basis='hatz', value=-1.2615)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='M062X', mode='CP', basis='hatz', value=-2.3210)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='M062X', mode='CP', basis='hatz', value=-3.9241)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='M062X', mode='CP', basis='hatz', value=-9.7798)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='M062X', mode='CP', basis='hatz', value=-4.2036)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='M062X', mode='CP', basis='hatz', value=-12.0525)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='M062X', mode='CP', basis='hatz', value=-1.2923)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='M062X', mode='CP', basis='hatz', value=-3.5714)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='M062X', mode='CP', basis='hatz', value=-2.3020)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='M062X', mode='CP', basis='hatz', value=-4.7373)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='M062X', mode='CP', basis='hatz', value=-2.1760)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='M062X', mode='CP', basis='hatz', value=-4.9660)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='M062X', mode='CP', basis='hatz', value=-6.5696)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='PBE', mode='unCP', basis='adz', value=-3.0185)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='PBE', mode='unCP', basis='adz', value=-5.1197)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='PBE', mode='unCP', basis='adz', value=-18.5792)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='PBE', mode='unCP', basis='adz', value=-15.3609)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='PBE', mode='unCP', basis='adz', value=-19.4149)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='PBE', mode='unCP', basis='adz', value=-16.3491)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='PBE', mode='unCP', basis='adz', value=-15.4117)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='PBE', mode='unCP', basis='adz', value=-0.4049)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='PBE', mode='unCP', basis='adz', value=-0.7128)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='PBE', mode='unCP', basis='adz', value=-0.4473)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='PBE', mode='unCP', basis='adz', value=0.8740)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='PBE', mode='unCP', basis='adz', value=-0.2717)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='PBE', mode='unCP', basis='adz', value=-3.9144)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='PBE', mode='unCP', basis='adz', value=0.7842)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='PBE', mode='unCP', basis='adz', value=-3.2452)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='PBE', mode='unCP', basis='adz', value=-1.5287)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='PBE', mode='unCP', basis='adz', value=-2.3835)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='PBE', mode='unCP', basis='adz', value=-1.3316)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='PBE', mode='unCP', basis='adz', value=-3.3156)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='PBE', mode='unCP', basis='adz', value=-0.9374)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='PBE', mode='unCP', basis='adz', value=-3.0849)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='PBE', mode='unCP', basis='adz', value=-4.5854)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='PBE', mode='CP', basis='adz', value=-2.7385)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='PBE', mode='CP', basis='adz', value=-4.8862)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='PBE', mode='CP', basis='adz', value=-17.9059)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='PBE', mode='CP', basis='adz', value=-14.6331)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='PBE', mode='CP', basis='adz', value=-18.3859)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='PBE', mode='CP', basis='adz', value=-15.2807)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='PBE', mode='CP', basis='adz', value=-14.2814)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='PBE', mode='CP', basis='adz', value=-0.1023)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='PBE', mode='CP', basis='adz', value=-0.3341)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='PBE', mode='CP', basis='adz', value=-0.0032)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='PBE', mode='CP', basis='adz', value=1.8035)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='PBE', mode='CP', basis='adz', value=0.6757)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='PBE', mode='CP', basis='adz', value=-2.6770)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='PBE', mode='CP', basis='adz', value=2.0942)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='PBE', mode='CP', basis='adz', value=-1.4501)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='PBE', mode='CP', basis='adz', value=-1.1355)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='PBE', mode='CP', basis='adz', value=-1.9723)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='PBE', mode='CP', basis='adz', value=-0.8748)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='PBE', mode='CP', basis='adz', value=-2.6757)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='PBE', mode='CP', basis='adz', value=-0.0617)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='PBE', mode='CP', basis='adz', value=-1.9002)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='PBE', mode='CP', basis='adz', value=-3.8225)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='PBE', mode='unCP', basis='atz', value=-2.8302)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='PBE', mode='unCP', basis='atz', value=-4.9595)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='PBE', mode='unCP', basis='atz', value=-18.4009)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='PBE', mode='unCP', basis='atz', value=-14.9022)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='PBE', mode='unCP', basis='atz', value=-18.8425)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='PBE', mode='unCP', basis='atz', value=-15.6176)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='PBE', mode='unCP', basis='atz', value=-14.6939)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='PBE', mode='unCP', basis='atz', value=-0.1219)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='PBE', mode='unCP', basis='atz', value=-0.3868)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='PBE', mode='unCP', basis='atz', value=-0.1236)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='PBE', mode='unCP', basis='atz', value=1.6898)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='PBE', mode='unCP', basis='atz', value=0.4880)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='PBE', mode='unCP', basis='atz', value=-3.1214)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='PBE', mode='unCP', basis='atz', value=1.9100)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='PBE', mode='unCP', basis='atz', value=-1.9054)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='PBE', mode='unCP', basis='atz', value=-1.2530)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='PBE', mode='unCP', basis='atz', value=-2.1120)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='PBE', mode='unCP', basis='atz', value=-1.0093)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='PBE', mode='unCP', basis='atz', value=-2.9855)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='PBE', mode='unCP', basis='atz', value=-0.2805)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='PBE', mode='unCP', basis='atz', value=-2.3064)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='PBE', mode='unCP', basis='atz', value=-4.0802)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='PBE', mode='CP', basis='atz', value=-2.8069)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='PBE', mode='CP', basis='atz', value=-4.9049)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='PBE', mode='CP', basis='atz', value=-18.1416)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='PBE', mode='CP', basis='atz', value=-14.6981)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='PBE', mode='CP', basis='atz', value=-18.4886)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='PBE', mode='CP', basis='atz', value=-15.3209)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='PBE', mode='CP', basis='atz', value=-14.3252)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='PBE', mode='CP', basis='atz', value=-0.1016)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='PBE', mode='CP', basis='atz', value=-0.3186)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='PBE', mode='CP', basis='atz', value=-0.0390)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='PBE', mode='CP', basis='atz', value=1.8539)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='PBE', mode='CP', basis='atz', value=0.6886)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='PBE', mode='CP', basis='atz', value=-2.7432)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='PBE', mode='CP', basis='atz', value=2.1811)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='PBE', mode='CP', basis='atz', value=-1.4179)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='PBE', mode='CP', basis='atz', value=-1.1764)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='PBE', mode='CP', basis='atz', value=-2.0108)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='PBE', mode='CP', basis='atz', value=-0.9231)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='PBE', mode='CP', basis='atz', value=-2.8357)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='PBE', mode='CP', basis='atz', value=-0.1177)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='PBE', mode='CP', basis='atz', value=-2.0485)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='PBE', mode='CP', basis='atz', value=-3.8524)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='PBE', mode='unCP', basis='dz', value=-5.8105)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='PBE', mode='unCP', basis='dz', value=-8.7357)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='PBE', mode='unCP', basis='dz', value=-24.1581)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='PBE', mode='unCP', basis='dz', value=-19.9741)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='PBE', mode='unCP', basis='dz', value=-22.5372)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='PBE', mode='unCP', basis='dz', value=-19.8617)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='PBE', mode='unCP', basis='dz', value=-19.4569)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='PBE', mode='unCP', basis='dz', value=-0.2801)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='PBE', mode='unCP', basis='dz', value=-0.9422)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='PBE', mode='unCP', basis='dz', value=-0.3907)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='PBE', mode='unCP', basis='dz', value=0.8504)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='PBE', mode='unCP', basis='dz', value=-0.6917)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='PBE', mode='unCP', basis='dz', value=-5.5833)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='PBE', mode='unCP', basis='dz', value=0.6088)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='PBE', mode='unCP', basis='dz', value=-5.2800)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='PBE', mode='unCP', basis='dz', value=-1.6756)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='PBE', mode='unCP', basis='dz', value=-3.0577)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='PBE', mode='unCP', basis='dz', value=-1.4745)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='PBE', mode='unCP', basis='dz', value=-3.3061)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='PBE', mode='unCP', basis='dz', value=-0.8405)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='PBE', mode='unCP', basis='dz', value=-3.2677)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='PBE', mode='unCP', basis='dz', value=-7.3095)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='PBE', mode='CP', basis='dz', value=-2.6966)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='PBE', mode='CP', basis='dz', value=-4.9584)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='PBE', mode='CP', basis='dz', value=-17.9940)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='PBE', mode='CP', basis='dz', value=-14.3106)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='PBE', mode='CP', basis='dz', value=-18.0452)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='PBE', mode='CP', basis='dz', value=-15.4022)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='PBE', mode='CP', basis='dz', value=-14.1639)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='PBE', mode='CP', basis='dz', value=-0.0691)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='PBE', mode='CP', basis='dz', value=-0.2423)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='PBE', mode='CP', basis='dz', value=0.0656)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='PBE', mode='CP', basis='dz', value=2.0684)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='PBE', mode='CP', basis='dz', value=1.0325)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='PBE', mode='CP', basis='dz', value=-2.0610)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='PBE', mode='CP', basis='dz', value=2.4864)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='PBE', mode='CP', basis='dz', value=-0.6886)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='PBE', mode='CP', basis='dz', value=-1.2879)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='PBE', mode='CP', basis='dz', value=-1.7736)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='PBE', mode='CP', basis='dz', value=-0.7623)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='PBE', mode='CP', basis='dz', value=-2.7034)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='PBE', mode='CP', basis='dz', value=-0.1024)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='PBE', mode='CP', basis='dz', value=-2.0997)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='PBE', mode='CP', basis='dz', value=-3.8816)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='PBE', mode='unCP', basis='tz', value=-4.2722)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='PBE', mode='unCP', basis='tz', value=-6.6533)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='PBE', mode='unCP', basis='tz', value=-20.0389)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='PBE', mode='unCP', basis='tz', value=-16.3654)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='PBE', mode='unCP', basis='tz', value=-19.6227)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='PBE', mode='unCP', basis='tz', value=-16.7873)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='PBE', mode='unCP', basis='tz', value=-15.8917)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='PBE', mode='unCP', basis='tz', value=-0.1249)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='PBE', mode='unCP', basis='tz', value=-0.5188)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='PBE', mode='unCP', basis='tz', value=-0.1679)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='PBE', mode='unCP', basis='tz', value=1.4793)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='PBE', mode='unCP', basis='tz', value=0.1460)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='PBE', mode='unCP', basis='tz', value=-4.0254)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='PBE', mode='unCP', basis='tz', value=1.5433)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='PBE', mode='unCP', basis='tz', value=-3.0523)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='PBE', mode='unCP', basis='tz', value=-1.3577)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='PBE', mode='unCP', basis='tz', value=-3.0855)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='PBE', mode='unCP', basis='tz', value=-1.4354)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='PBE', mode='unCP', basis='tz', value=-3.0751)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='PBE', mode='unCP', basis='tz', value=-0.3870)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='PBE', mode='unCP', basis='tz', value=-2.6871)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='PBE', mode='unCP', basis='tz', value=-5.1308)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='PBE', mode='CP', basis='tz', value=-2.9337)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='PBE', mode='CP', basis='tz', value=-4.9088)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='PBE', mode='CP', basis='tz', value=-18.2964)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='PBE', mode='CP', basis='tz', value=-14.7415)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='PBE', mode='CP', basis='tz', value=-18.3800)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='PBE', mode='CP', basis='tz', value=-15.3649)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='PBE', mode='CP', basis='tz', value=-14.2819)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='PBE', mode='CP', basis='tz', value=-0.0914)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='PBE', mode='CP', basis='tz', value=-0.3315)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='PBE', mode='CP', basis='tz', value=-0.0491)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='PBE', mode='CP', basis='tz', value=1.9455)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='PBE', mode='CP', basis='tz', value=0.8177)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='PBE', mode='CP', basis='tz', value=-2.6241)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='PBE', mode='CP', basis='tz', value=2.3358)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='PBE', mode='CP', basis='tz', value=-1.1963)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='PBE', mode='CP', basis='tz', value=-1.2104)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='PBE', mode='CP', basis='tz', value=-1.9245)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='PBE', mode='CP', basis='tz', value=-0.8653)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='PBE', mode='CP', basis='tz', value=-2.9237)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='PBE', mode='CP', basis='tz', value=-0.1379)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='PBE', mode='CP', basis='tz', value=-2.1413)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='PBE', mode='CP', basis='tz', value=-3.8422)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='PBE', mode='unCP', basis='hadz', value=-2.8942)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='PBE', mode='unCP', basis='hadz', value=-5.4261)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='PBE', mode='unCP', basis='hadz', value=-18.4649)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='PBE', mode='unCP', basis='hadz', value=-15.1766)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='PBE', mode='unCP', basis='hadz', value=-19.0964)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='PBE', mode='unCP', basis='hadz', value=-15.9590)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='PBE', mode='unCP', basis='hadz', value=-15.0510)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='PBE', mode='unCP', basis='hadz', value=-0.2586)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='PBE', mode='unCP', basis='hadz', value=-0.4975)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='PBE', mode='unCP', basis='hadz', value=-0.2820)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='PBE', mode='unCP', basis='hadz', value=1.0707)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='PBE', mode='unCP', basis='hadz', value=-0.0977)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='PBE', mode='unCP', basis='hadz', value=-3.8692)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='PBE', mode='unCP', basis='hadz', value=0.9320)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='PBE', mode='unCP', basis='hadz', value=-3.1120)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='PBE', mode='unCP', basis='hadz', value=-1.3334)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='PBE', mode='unCP', basis='hadz', value=-2.5192)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='PBE', mode='unCP', basis='hadz', value=-1.2077)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='PBE', mode='unCP', basis='hadz', value=-3.0902)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='PBE', mode='unCP', basis='hadz', value=-0.6439)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='PBE', mode='unCP', basis='hadz', value=-2.6325)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='PBE', mode='unCP', basis='hadz', value=-4.4503)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='PBE', mode='CP', basis='hadz', value=-2.7147)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='PBE', mode='CP', basis='hadz', value=-5.0122)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='PBE', mode='CP', basis='hadz', value=-17.8627)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='PBE', mode='CP', basis='hadz', value=-14.5966)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='PBE', mode='CP', basis='hadz', value=-18.3471)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='PBE', mode='CP', basis='hadz', value=-15.2640)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='PBE', mode='CP', basis='hadz', value=-14.2579)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='PBE', mode='CP', basis='hadz', value=-0.0969)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='PBE', mode='CP', basis='hadz', value=-0.2530)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='PBE', mode='CP', basis='hadz', value=-0.0570)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='PBE', mode='CP', basis='hadz', value=1.7714)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='PBE', mode='CP', basis='hadz', value=0.6606)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='PBE', mode='CP', basis='hadz', value=-2.6746)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='PBE', mode='CP', basis='hadz', value=2.0623)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='PBE', mode='CP', basis='hadz', value=-1.4860)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='PBE', mode='CP', basis='hadz', value=-1.1311)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='PBE', mode='CP', basis='hadz', value=-2.0853)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='PBE', mode='CP', basis='hadz', value=-0.9657)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='PBE', mode='CP', basis='hadz', value=-2.6883)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='PBE', mode='CP', basis='hadz', value=-0.1002)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='PBE', mode='CP', basis='hadz', value=-1.9163)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='PBE', mode='CP', basis='hadz', value=-3.8091)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='PBE', mode='unCP', basis='hatz', value=-2.8679)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='PBE', mode='unCP', basis='hatz', value=-5.0157)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='PBE', mode='unCP', basis='hatz', value=-18.3079)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='PBE', mode='unCP', basis='hatz', value=-14.8397)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='PBE', mode='unCP', basis='hatz', value=-18.7195)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='PBE', mode='unCP', basis='hatz', value=-15.5435)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='PBE', mode='unCP', basis='hatz', value=-14.5867)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='PBE', mode='unCP', basis='hatz', value=-0.1210)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='PBE', mode='unCP', basis='hatz', value=-0.3532)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='PBE', mode='unCP', basis='hatz', value=-0.0829)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='PBE', mode='unCP', basis='hatz', value=1.7230)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='PBE', mode='unCP', basis='hatz', value=0.5092)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='PBE', mode='unCP', basis='hatz', value=-3.0873)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='PBE', mode='unCP', basis='hatz', value=1.9345)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='PBE', mode='unCP', basis='hatz', value=-1.8815)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='PBE', mode='unCP', basis='hatz', value=-1.2310)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='PBE', mode='unCP', basis='hatz', value=-2.1518)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='PBE', mode='unCP', basis='hatz', value=-0.9819)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='PBE', mode='unCP', basis='hatz', value=-2.9133)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='PBE', mode='unCP', basis='hatz', value=-0.2218)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='PBE', mode='unCP', basis='hatz', value=-2.2299)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='PBE', mode='unCP', basis='hatz', value=-4.0317)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='PBE', mode='CP', basis='hatz', value=-2.8122)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='PBE', mode='CP', basis='hatz', value=-4.9253)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='PBE', mode='CP', basis='hatz', value=-18.1248)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='PBE', mode='CP', basis='hatz', value=-14.6907)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='PBE', mode='CP', basis='hatz', value=-18.4835)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='PBE', mode='CP', basis='hatz', value=-15.3173)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='PBE', mode='CP', basis='hatz', value=-14.3136)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='PBE', mode='CP', basis='hatz', value=-0.1013)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='PBE', mode='CP', basis='hatz', value=-0.3115)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='PBE', mode='CP', basis='hatz', value=-0.0324)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='PBE', mode='CP', basis='hatz', value=1.8569)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='PBE', mode='CP', basis='hatz', value=0.6903)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='PBE', mode='CP', basis='hatz', value=-2.7396)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='PBE', mode='CP', basis='hatz', value=2.1855)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='PBE', mode='CP', basis='hatz', value=-1.4078)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='PBE', mode='CP', basis='hatz', value=-1.1748)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='PBE', mode='CP', basis='hatz', value=-2.0023)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='PBE', mode='CP', basis='hatz', value=-0.9157)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='PBE', mode='CP', basis='hatz', value=-2.8227)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='PBE', mode='CP', basis='hatz', value=-0.1142)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='PBE', mode='CP', basis='hatz', value=-2.0423)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='PBE', mode='CP', basis='hatz', value=-3.8445)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='PBE0', mode='unCP', basis='adz', value=-2.9544)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='PBE0', mode='unCP', basis='adz', value=-5.1417)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='PBE0', mode='unCP', basis='adz', value=-19.2961)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='PBE0', mode='unCP', basis='adz', value=-15.9146)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='PBE0', mode='unCP', basis='adz', value=-20.0135)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='PBE0', mode='unCP', basis='adz', value=-16.2993)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='PBE0', mode='unCP', basis='adz', value=-15.4845)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='PBE0', mode='unCP', basis='adz', value=-0.3157)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='PBE0', mode='unCP', basis='adz', value=-0.6640)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='PBE0', mode='unCP', basis='adz', value=-0.5796)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='PBE0', mode='unCP', basis='adz', value=0.6156)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='PBE0', mode='unCP', basis='adz', value=-0.4696)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='PBE0', mode='unCP', basis='adz', value=-4.5704)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='PBE0', mode='unCP', basis='adz', value=0.4109)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='PBE0', mode='unCP', basis='adz', value=-4.0185)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='PBE0', mode='unCP', basis='adz', value=-1.5230)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='PBE0', mode='unCP', basis='adz', value=-2.6478)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='PBE0', mode='unCP', basis='adz', value=-1.5196)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='PBE0', mode='unCP', basis='adz', value=-3.8735)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='PBE0', mode='unCP', basis='adz', value=-1.2076)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='PBE0', mode='unCP', basis='adz', value=-3.4806)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='PBE0', mode='unCP', basis='adz', value=-4.9388)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='PBE0', mode='unCP', basis='atz', value=-2.7585)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='PBE0', mode='unCP', basis='atz', value=-4.9692)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='PBE0', mode='unCP', basis='atz', value=-19.1733)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='PBE0', mode='unCP', basis='atz', value=-15.4746)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='PBE0', mode='unCP', basis='atz', value=-19.5232)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='PBE0', mode='unCP', basis='atz', value=-15.6718)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='PBE0', mode='unCP', basis='atz', value=-14.8708)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='PBE0', mode='unCP', basis='atz', value=-0.0600)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='PBE0', mode='unCP', basis='atz', value=-0.3954)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='PBE0', mode='unCP', basis='atz', value=-0.1693)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='PBE0', mode='unCP', basis='atz', value=1.6517)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='PBE0', mode='unCP', basis='atz', value=0.3439)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='PBE0', mode='unCP', basis='atz', value=-3.6855)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='PBE0', mode='unCP', basis='atz', value=1.7864)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='PBE0', mode='unCP', basis='atz', value=-2.6085)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='PBE0', mode='unCP', basis='atz', value=-1.2618)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='PBE0', mode='unCP', basis='atz', value=-2.2880)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='PBE0', mode='unCP', basis='atz', value=-1.1118)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='PBE0', mode='unCP', basis='atz', value=-3.4288)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='PBE0', mode='unCP', basis='atz', value=-0.4375)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='PBE0', mode='unCP', basis='atz', value=-2.6034)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='PBE0', mode='unCP', basis='atz', value=-4.3888)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='XYG3', mode='unCP', basis='adz', value=-3.2249)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='XYG3', mode='unCP', basis='adz', value=-5.4823)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='XYG3', mode='unCP', basis='adz', value=-20.0297)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='XYG3', mode='unCP', basis='adz', value=-16.8232)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='XYG3', mode='unCP', basis='adz', value=-21.5569)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='XYG3', mode='unCP', basis='adz', value=-17.1029)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='XYG3', mode='unCP', basis='adz', value=-16.7998)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='XYG3', mode='unCP', basis='adz', value=-0.5123)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='XYG3', mode='unCP', basis='adz', value=-1.2492)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='XYG3', mode='unCP', basis='adz', value=-1.5197)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='XYG3', mode='unCP', basis='adz', value=-1.9989)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='XYG3', mode='unCP', basis='adz', value=-3.4000)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='XYG3', mode='unCP', basis='adz', value=-9.0134)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='XYG3', mode='unCP', basis='adz', value=-3.5937)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='XYG3', mode='unCP', basis='adz', value=-10.5675)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='XYG3', mode='unCP', basis='adz', value=-1.8777)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='XYG3', mode='unCP', basis='adz', value=-3.4797)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='XYG3', mode='unCP', basis='adz', value=-2.4297)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='XYG3', mode='unCP', basis='adz', value=-5.2068)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='XYG3', mode='unCP', basis='adz', value=-3.0358)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='XYG3', mode='unCP', basis='adz', value=-5.8095)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='XYG3', mode='unCP', basis='adz', value=-7.2745)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='XYG3', mode='unCP', basis='atz', value=-3.0276)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='XYG3', mode='unCP', basis='atz', value=-5.3398)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='XYG3', mode='unCP', basis='atz', value=-20.1166)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='XYG3', mode='unCP', basis='atz', value=-16.5666)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='XYG3', mode='unCP', basis='atz', value=-21.1883)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='XYG3', mode='unCP', basis='atz', value=-16.7274)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='XYG3', mode='unCP', basis='atz', value=-16.2147)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='XYG3', mode='unCP', basis='atz', value=-0.2485)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='XYG3', mode='unCP', basis='atz', value=-0.9890)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='XYG3', mode='unCP', basis='atz', value=-0.9396)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='XYG3', mode='unCP', basis='atz', value=-0.6992)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='XYG3', mode='unCP', basis='atz', value=-2.4305)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='XYG3', mode='unCP', basis='atz', value=-7.5520)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='XYG3', mode='unCP', basis='atz', value=-1.8096)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='XYG3', mode='unCP', basis='atz', value=-8.2935)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='XYG3', mode='unCP', basis='atz', value=-1.4903)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='XYG3', mode='unCP', basis='atz', value=-3.0443)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='XYG3', mode='unCP', basis='atz', value=-1.8933)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='XYG3', mode='unCP', basis='atz', value=-4.5997)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='XYG3', mode='unCP', basis='atz', value=-1.9129)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='XYG3', mode='unCP', basis='atz', value=-4.6151)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='XYG3', mode='unCP', basis='atz', value=-6.4390)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='XYG3', mode='unCP', basis='6311pg_3df_2p_', value=-3.3510)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='XYG3', mode='unCP', basis='6311pg_3df_2p_', value=-5.8204)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='XYG3', mode='unCP', basis='6311pg_3df_2p_', value=-20.2832)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='XYG3', mode='unCP', basis='6311pg_3df_2p_', value=-16.6314)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='XYG3', mode='unCP', basis='6311pg_3df_2p_', value=-21.2208)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='XYG3', mode='unCP', basis='6311pg_3df_2p_', value=-17.6908)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='XYG3', mode='unCP', basis='6311pg_3df_2p_', value=-17.2300)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='XYG3', mode='unCP', basis='6311pg_3df_2p_', value=-0.3259)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='XYG3', mode='unCP', basis='6311pg_3df_2p_', value=-1.2593)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='XYG3', mode='unCP', basis='6311pg_3df_2p_', value=-1.3847)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='XYG3', mode='unCP', basis='6311pg_3df_2p_', value=-2.8100)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='XYG3', mode='unCP', basis='6311pg_3df_2p_', value=-4.3884)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='XYG3', mode='unCP', basis='6311pg_3df_2p_', value=-10.1520)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='XYG3', mode='unCP', basis='6311pg_3df_2p_', value=-4.9205)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='XYG3', mode='unCP', basis='6311pg_3df_2p_', value=-12.1750)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='XYG3', mode='unCP', basis='6311pg_3df_2p_', value=-1.5843)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='XYG3', mode='unCP', basis='6311pg_3df_2p_', value=-3.7284)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='XYG3', mode='unCP', basis='6311pg_3df_2p_', value=-2.3727)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='XYG3', mode='unCP', basis='6311pg_3df_2p_', value=-5.0357)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='XYG3', mode='unCP', basis='6311pg_3df_2p_', value=-2.8525)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='XYG3', mode='unCP', basis='6311pg_3df_2p_', value=-5.8492)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='XYG3', mode='unCP', basis='6311pg_3df_2p_', value=-7.5166)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='XYG3', mode='unCP', basis='6311ppg_3df_2p_', value=-3.0597)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='XYG3', mode='unCP', basis='6311ppg_3df_2p_', value=-5.6867)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='XYG3', mode='unCP', basis='6311ppg_3df_2p_', value=-20.0284)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='XYG3', mode='unCP', basis='6311ppg_3df_2p_', value=-16.4305)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='XYG3', mode='unCP', basis='6311ppg_3df_2p_', value=-21.1244)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='XYG3', mode='unCP', basis='6311ppg_3df_2p_', value=-16.5743)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='XYG3', mode='unCP', basis='6311ppg_3df_2p_', value=-16.0513)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='XYG3', mode='unCP', basis='6311ppg_3df_2p_', value=-0.2004)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='XYG3', mode='unCP', basis='6311ppg_3df_2p_', value=-0.9192)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='XYG3', mode='unCP', basis='6311ppg_3df_2p_', value=-1.0772)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='XYG3', mode='unCP', basis='6311ppg_3df_2p_', value=-1.2976)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='XYG3', mode='unCP', basis='6311ppg_3df_2p_', value=-2.8160)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='XYG3', mode='unCP', basis='6311ppg_3df_2p_', value=-8.3347)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='XYG3', mode='unCP', basis='6311ppg_3df_2p_', value=-2.6423)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='XYG3', mode='unCP', basis='6311ppg_3df_2p_', value=-9.1204)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='XYG3', mode='unCP', basis='6311ppg_3df_2p_', value=-1.4733)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='XYG3', mode='unCP', basis='6311ppg_3df_2p_', value=-3.4569)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='XYG3', mode='unCP', basis='6311ppg_3df_2p_', value=-2.0819)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='XYG3', mode='unCP', basis='6311ppg_3df_2p_', value=-4.8224)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='XYG3', mode='unCP', basis='6311ppg_3df_2p_', value=-2.1577)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='XYG3', mode='unCP', basis='6311ppg_3df_2p_', value=-4.8262)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='XYG3', mode='unCP', basis='6311ppg_3df_2p_', value=-6.7097)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='B970D2', mode='unCP', basis='adz', value=-3.6034)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='B970D2', mode='unCP', basis='adz', value=-5.1465)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='B970D2', mode='unCP', basis='adz', value=-18.9960)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='B970D2', mode='unCP', basis='adz', value=-16.2499)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='B970D2', mode='unCP', basis='adz', value=-20.7435)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='B970D2', mode='unCP', basis='adz', value=-17.5968)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='B970D2', mode='unCP', basis='adz', value=-16.9745)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='B970D2', mode='unCP', basis='adz', value=-0.9278)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='B970D2', mode='unCP', basis='adz', value=-2.0025)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='B970D2', mode='unCP', basis='adz', value=-1.8422)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='B970D2', mode='unCP', basis='adz', value=-2.6434)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='B970D2', mode='unCP', basis='adz', value=-4.0114)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='B970D2', mode='unCP', basis='adz', value=-9.7620)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='B970D2', mode='unCP', basis='adz', value=-4.3814)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='B970D2', mode='unCP', basis='adz', value=-11.4599)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='B970D2', mode='unCP', basis='adz', value=-2.1358)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='B970D2', mode='unCP', basis='adz', value=-3.8447)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='B970D2', mode='unCP', basis='adz', value=-2.7931)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='B970D2', mode='unCP', basis='adz', value=-5.3639)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='B970D2', mode='unCP', basis='adz', value=-3.2892)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='B970D2', mode='unCP', basis='adz', value=-6.3985)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='B970D2', mode='unCP', basis='adz', value=-6.9526)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='B970D2', mode='CP', basis='adz', value=-3.3201)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='B970D2', mode='CP', basis='adz', value=-4.9143)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='B970D2', mode='CP', basis='adz', value=-18.3370)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='B970D2', mode='CP', basis='adz', value=-15.5418)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='B970D2', mode='CP', basis='adz', value=-19.7710)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='B970D2', mode='CP', basis='adz', value=-16.5854)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='B970D2', mode='CP', basis='adz', value=-15.9201)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='B970D2', mode='CP', basis='adz', value=-0.6368)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='B970D2', mode='CP', basis='adz', value=-1.6479)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='B970D2', mode='CP', basis='adz', value=-1.3502)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='B970D2', mode='CP', basis='adz', value=-1.6200)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='B970D2', mode='CP', basis='adz', value=-3.0497)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='B970D2', mode='CP', basis='adz', value=-8.4851)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='B970D2', mode='CP', basis='adz', value=-2.9604)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='B970D2', mode='CP', basis='adz', value=-9.6410)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='B970D2', mode='CP', basis='adz', value=-1.7328)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='B970D2', mode='CP', basis='adz', value=-3.3987)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='B970D2', mode='CP', basis='adz', value=-2.2937)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='B970D2', mode='CP', basis='adz', value=-4.6783)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='B970D2', mode='CP', basis='adz', value=-2.3583)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='B970D2', mode='CP', basis='adz', value=-5.1897)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='B970D2', mode='CP', basis='adz', value=-6.1561)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='B970D2', mode='unCP', basis='atz', value=-3.4149)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='B970D2', mode='unCP', basis='atz', value=-5.0028)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='B970D2', mode='unCP', basis='atz', value=-18.9105)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='B970D2', mode='unCP', basis='atz', value=-15.8337)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='B970D2', mode='unCP', basis='atz', value=-20.2432)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='B970D2', mode='unCP', basis='atz', value=-16.9318)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='B970D2', mode='unCP', basis='atz', value=-16.3296)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='B970D2', mode='unCP', basis='atz', value=-0.6486)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='B970D2', mode='unCP', basis='atz', value=-1.6966)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='B970D2', mode='unCP', basis='atz', value=-1.4714)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='B970D2', mode='unCP', basis='atz', value=-1.7921)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='B970D2', mode='unCP', basis='atz', value=-3.2769)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='B970D2', mode='unCP', basis='atz', value=-8.9577)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='B970D2', mode='unCP', basis='atz', value=-3.2328)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='B970D2', mode='unCP', basis='atz', value=-10.1683)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='B970D2', mode='unCP', basis='atz', value=-1.8415)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='B970D2', mode='unCP', basis='atz', value=-3.5435)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='B970D2', mode='unCP', basis='atz', value=-2.4321)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='B970D2', mode='unCP', basis='atz', value=-4.9866)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='B970D2', mode='unCP', basis='atz', value=-2.5762)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='B970D2', mode='unCP', basis='atz', value=-5.5724)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='B970D2', mode='unCP', basis='atz', value=-6.4205)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='B970D2', mode='CP', basis='atz', value=-3.3921)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='B970D2', mode='CP', basis='atz', value=-4.9482)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='B970D2', mode='CP', basis='atz', value=-18.6514)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='B970D2', mode='CP', basis='atz', value=-15.6382)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='B970D2', mode='CP', basis='atz', value=-19.9154)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='B970D2', mode='CP', basis='atz', value=-16.6650)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='B970D2', mode='CP', basis='atz', value=-15.9950)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='B970D2', mode='CP', basis='atz', value=-0.6310)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='B970D2', mode='CP', basis='atz', value=-1.6409)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='B970D2', mode='CP', basis='atz', value=-1.3906)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='B970D2', mode='CP', basis='atz', value=-1.6367)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='B970D2', mode='CP', basis='atz', value=-3.0912)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='B970D2', mode='CP', basis='atz', value=-8.5899)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='B970D2', mode='CP', basis='atz', value=-2.9850)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='B970D2', mode='CP', basis='atz', value=-9.7128)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='B970D2', mode='CP', basis='atz', value=-1.7717)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='B970D2', mode='CP', basis='atz', value=-3.4447)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='B970D2', mode='CP', basis='atz', value=-2.3497)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='B970D2', mode='CP', basis='atz', value=-4.8409)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='B970D2', mode='CP', basis='atz', value=-2.4266)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='B970D2', mode='CP', basis='atz', value=-5.3350)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='B970D2', mode='CP', basis='atz', value=-6.2041)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='B970D2', mode='unCP', basis='dz', value=-5.9137)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='B970D2', mode='unCP', basis='dz', value=-8.1853)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='B970D2', mode='unCP', basis='dz', value=-23.7217)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='B970D2', mode='unCP', basis='dz', value=-20.1561)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='B970D2', mode='unCP', basis='dz', value=-23.3960)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='B970D2', mode='unCP', basis='dz', value=-20.6316)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='B970D2', mode='unCP', basis='dz', value=-20.4447)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='B970D2', mode='unCP', basis='dz', value=-0.7617)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='B970D2', mode='unCP', basis='dz', value=-2.1815)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='B970D2', mode='unCP', basis='dz', value=-1.7030)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='B970D2', mode='unCP', basis='dz', value=-2.5642)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='B970D2', mode='unCP', basis='dz', value=-4.3752)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='B970D2', mode='unCP', basis='dz', value=-11.2041)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='B970D2', mode='unCP', basis='dz', value=-4.4255)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='B970D2', mode='unCP', basis='dz', value=-13.3312)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='B970D2', mode='unCP', basis='dz', value=-2.2107)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='B970D2', mode='unCP', basis='dz', value=-4.3796)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='B970D2', mode='unCP', basis='dz', value=-2.8401)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='B970D2', mode='unCP', basis='dz', value=-5.2588)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='B970D2', mode='unCP', basis='dz', value=-3.0802)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='B970D2', mode='unCP', basis='dz', value=-6.4527)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='B970D2', mode='unCP', basis='dz', value=-9.3010)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='B970D2', mode='CP', basis='dz', value=-3.2146)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='B970D2', mode='CP', basis='dz', value=-4.9862)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='B970D2', mode='CP', basis='dz', value=-18.3533)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='B970D2', mode='CP', basis='dz', value=-15.1700)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='B970D2', mode='CP', basis='dz', value=-19.4773)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='B970D2', mode='CP', basis='dz', value=-16.6950)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='B970D2', mode='CP', basis='dz', value=-15.8193)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='B970D2', mode='CP', basis='dz', value=-0.6068)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='B970D2', mode='CP', basis='dz', value=-1.5682)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='B970D2', mode='CP', basis='dz', value=-1.2948)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='B970D2', mode='CP', basis='dz', value=-1.4178)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='B970D2', mode='CP', basis='dz', value=-2.7738)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='B970D2', mode='CP', basis='dz', value=-7.9557)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='B970D2', mode='CP', basis='dz', value=-2.6729)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='B970D2', mode='CP', basis='dz', value=-9.0824)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='B970D2', mode='CP', basis='dz', value=-1.8565)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='B970D2', mode='CP', basis='dz', value=-3.2597)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='B970D2', mode='CP', basis='dz', value=-2.2073)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='B970D2', mode='CP', basis='dz', value=-4.7047)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='B970D2', mode='CP', basis='dz', value=-2.3894)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='B970D2', mode='CP', basis='dz', value=-5.3652)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='B970D2', mode='CP', basis='dz', value=-6.2635)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='B970D2', mode='unCP', basis='tz', value=-4.6043)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='B970D2', mode='unCP', basis='tz', value=-6.3883)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='B970D2', mode='unCP', basis='tz', value=-20.2591)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='B970D2', mode='unCP', basis='tz', value=-17.0557)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='B970D2', mode='unCP', basis='tz', value=-20.8819)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='B970D2', mode='unCP', basis='tz', value=-17.9255)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='B970D2', mode='unCP', basis='tz', value=-17.3171)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='B970D2', mode='unCP', basis='tz', value=-0.6484)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='B970D2', mode='unCP', basis='tz', value=-1.8277)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='B970D2', mode='unCP', basis='tz', value=-1.5123)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='B970D2', mode='unCP', basis='tz', value=-1.9885)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='B970D2', mode='unCP', basis='tz', value=-3.5846)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='B970D2', mode='unCP', basis='tz', value=-9.7578)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='B970D2', mode='unCP', basis='tz', value=-3.5750)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='B970D2', mode='unCP', basis='tz', value=-11.2172)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='B970D2', mode='unCP', basis='tz', value=-1.9340)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='B970D2', mode='unCP', basis='tz', value=-4.3522)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='B970D2', mode='unCP', basis='tz', value=-2.7871)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='B970D2', mode='unCP', basis='tz', value=-5.0712)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='B970D2', mode='unCP', basis='tz', value=-2.6781)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='B970D2', mode='unCP', basis='tz', value=-5.9315)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='B970D2', mode='unCP', basis='tz', value=-7.3093)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='B970D2', mode='CP', basis='tz', value=-3.4796)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='B970D2', mode='CP', basis='tz', value=-4.9536)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='B970D2', mode='CP', basis='tz', value=-18.7657)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='B970D2', mode='CP', basis='tz', value=-15.6465)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='B970D2', mode='CP', basis='tz', value=-19.8202)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='B970D2', mode='CP', basis='tz', value=-16.6891)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='B970D2', mode='CP', basis='tz', value=-15.9450)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='B970D2', mode='CP', basis='tz', value=-0.6262)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='B970D2', mode='CP', basis='tz', value=-1.6528)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='B970D2', mode='CP', basis='tz', value=-1.4075)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='B970D2', mode='CP', basis='tz', value=-1.5527)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='B970D2', mode='CP', basis='tz', value=-2.9799)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='B970D2', mode='CP', basis='tz', value=-8.4859)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='B970D2', mode='CP', basis='tz', value=-2.8391)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='B970D2', mode='CP', basis='tz', value=-9.5292)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='B970D2', mode='CP', basis='tz', value=-1.8036)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='B970D2', mode='CP', basis='tz', value=-3.3861)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='B970D2', mode='CP', basis='tz', value=-2.3062)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='B970D2', mode='CP', basis='tz', value=-4.9366)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='B970D2', mode='CP', basis='tz', value=-2.4482)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='B970D2', mode='CP', basis='tz', value=-5.4272)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='B970D2', mode='CP', basis='tz', value=-6.1917)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='B970D2', mode='unCP', basis='hadz', value=-3.4563)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='B970D2', mode='unCP', basis='hadz', value=-5.3903)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='B970D2', mode='unCP', basis='hadz', value=-18.8712)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='B970D2', mode='unCP', basis='hadz', value=-16.0609)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='B970D2', mode='unCP', basis='hadz', value=-20.4337)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='B970D2', mode='unCP', basis='hadz', value=-17.2204)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='B970D2', mode='unCP', basis='hadz', value=-16.6292)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='B970D2', mode='unCP', basis='hadz', value=-0.7866)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='B970D2', mode='unCP', basis='hadz', value=-1.8175)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='B970D2', mode='unCP', basis='hadz', value=-1.6276)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='B970D2', mode='unCP', basis='hadz', value=-2.3955)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='B970D2', mode='unCP', basis='hadz', value=-3.8325)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='B970D2', mode='unCP', basis='hadz', value=-9.7006)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='B970D2', mode='unCP', basis='hadz', value=-4.1769)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='B970D2', mode='unCP', basis='hadz', value=-11.3246)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='B970D2', mode='unCP', basis='hadz', value=-1.9296)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='B970D2', mode='unCP', basis='hadz', value=-3.9272)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='B970D2', mode='unCP', basis='hadz', value=-2.6304)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='B970D2', mode='unCP', basis='hadz', value=-5.1314)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='B970D2', mode='unCP', basis='hadz', value=-2.9667)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='B970D2', mode='unCP', basis='hadz', value=-5.9554)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='B970D2', mode='unCP', basis='hadz', value=-6.8018)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='B970D2', mode='CP', basis='hadz', value=-3.2838)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='B970D2', mode='CP', basis='hadz', value=-5.0220)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='B970D2', mode='CP', basis='hadz', value=-18.2992)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='B970D2', mode='CP', basis='hadz', value=-15.4994)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='B970D2', mode='CP', basis='hadz', value=-19.7277)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='B970D2', mode='CP', basis='hadz', value=-16.5603)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='B970D2', mode='CP', basis='hadz', value=-15.8897)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='B970D2', mode='CP', basis='hadz', value=-0.6305)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='B970D2', mode='CP', basis='hadz', value=-1.5766)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='B970D2', mode='CP', basis='hadz', value=-1.3945)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='B970D2', mode='CP', basis='hadz', value=-1.6462)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='B970D2', mode='CP', basis='hadz', value=-3.0621)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='B970D2', mode='CP', basis='hadz', value=-8.4791)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='B970D2', mode='CP', basis='hadz', value=-2.9857)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='B970D2', mode='CP', basis='hadz', value=-9.6760)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='B970D2', mode='CP', basis='hadz', value=-1.7283)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='B970D2', mode='CP', basis='hadz', value=-3.5111)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='B970D2', mode='CP', basis='hadz', value=-2.3845)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='B970D2', mode='CP', basis='hadz', value=-4.7136)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='B970D2', mode='CP', basis='hadz', value=-2.3964)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='B970D2', mode='CP', basis='hadz', value=-5.2236)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='B970D2', mode='CP', basis='hadz', value=-6.1491)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='B970D2', mode='unCP', basis='hatz', value=-3.4428)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='B970D2', mode='unCP', basis='hatz', value=-5.0383)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='B970D2', mode='unCP', basis='hatz', value=-18.8143)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='B970D2', mode='unCP', basis='hatz', value=-15.7698)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='B970D2', mode='unCP', basis='hatz', value=-20.1302)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='B970D2', mode='unCP', basis='hatz', value=-16.8671)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='B970D2', mode='unCP', basis='hatz', value=-16.2312)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='B970D2', mode='unCP', basis='hatz', value=-0.6482)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='B970D2', mode='unCP', basis='hatz', value=-1.6727)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='B970D2', mode='unCP', basis='hatz', value=-1.4334)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='B970D2', mode='unCP', basis='hatz', value=-1.7648)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='B970D2', mode='unCP', basis='hatz', value=-3.2560)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='B970D2', mode='unCP', basis='hatz', value=-8.9243)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='B970D2', mode='unCP', basis='hatz', value=-3.2115)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='B970D2', mode='unCP', basis='hatz', value=-10.1495)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='B970D2', mode='unCP', basis='hatz', value=-1.8235)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='B970D2', mode='unCP', basis='hatz', value=-3.5654)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='B970D2', mode='unCP', basis='hatz', value=-2.4019)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='B970D2', mode='unCP', basis='hatz', value=-4.9204)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='B970D2', mode='unCP', basis='hatz', value=-2.5240)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='B970D2', mode='unCP', basis='hatz', value=-5.5026)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='B970D2', mode='unCP', basis='hatz', value=-6.3715)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='B970D2', mode='CP', basis='hatz', value=-3.3917)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='B970D2', mode='CP', basis='hatz', value=-4.9610)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='B970D2', mode='CP', basis='hatz', value=-18.6314)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='B970D2', mode='CP', basis='hatz', value=-15.6276)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='B970D2', mode='CP', basis='hatz', value=-19.9061)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='B970D2', mode='CP', basis='hatz', value=-16.6571)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='B970D2', mode='CP', basis='hatz', value=-15.9804)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='B970D2', mode='CP', basis='hatz', value=-0.6316)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='B970D2', mode='CP', basis='hatz', value=-1.6350)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='B970D2', mode='CP', basis='hatz', value=-1.3859)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='B970D2', mode='CP', basis='hatz', value=-1.6371)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='B970D2', mode='CP', basis='hatz', value=-3.0881)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='B970D2', mode='CP', basis='hatz', value=-8.5852)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='B970D2', mode='CP', basis='hatz', value=-2.9808)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='B970D2', mode='CP', basis='hatz', value=-9.7032)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='B970D2', mode='CP', basis='hatz', value=-1.7713)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='B970D2', mode='CP', basis='hatz', value=-3.4339)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='B970D2', mode='CP', basis='hatz', value=-2.3403)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='B970D2', mode='CP', basis='hatz', value=-4.8306)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='B970D2', mode='CP', basis='hatz', value=-2.4224)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='B970D2', mode='CP', basis='hatz', value=-5.3311)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='B970D2', mode='CP', basis='hatz', value=-6.1939)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='BP86D2', mode='unCP', basis='adz', value=-3.4839)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='BP86D2', mode='unCP', basis='adz', value=-5.0302)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='BP86D2', mode='unCP', basis='adz', value=-20.1473)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='BP86D2', mode='unCP', basis='adz', value=-16.9527)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='BP86D2', mode='unCP', basis='adz', value=-21.6598)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='BP86D2', mode='unCP', basis='adz', value=-19.1359)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='BP86D2', mode='unCP', basis='adz', value=-18.2968)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='BP86D2', mode='unCP', basis='adz', value=-0.4637)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='BP86D2', mode='unCP', basis='adz', value=-1.7501)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='BP86D2', mode='unCP', basis='adz', value=-1.6319)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='BP86D2', mode='unCP', basis='adz', value=-3.3192)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='BP86D2', mode='unCP', basis='adz', value=-4.9610)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='BP86D2', mode='unCP', basis='adz', value=-10.7533)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='BP86D2', mode='unCP', basis='adz', value=-5.9778)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='BP86D2', mode='unCP', basis='adz', value=-14.1118)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='BP86D2', mode='unCP', basis='adz', value=-1.7923)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='BP86D2', mode='unCP', basis='adz', value=-3.6160)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='BP86D2', mode='unCP', basis='adz', value=-2.5373)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='BP86D2', mode='unCP', basis='adz', value=-5.3452)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='BP86D2', mode='unCP', basis='adz', value=-3.4188)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='BP86D2', mode='unCP', basis='adz', value=-6.9439)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='BP86D2', mode='unCP', basis='adz', value=-7.3274)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='BP86D2', mode='CP', basis='adz', value=-3.2090)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='BP86D2', mode='CP', basis='adz', value=-4.8102)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='BP86D2', mode='CP', basis='adz', value=-19.4839)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='BP86D2', mode='CP', basis='adz', value=-16.2160)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='BP86D2', mode='CP', basis='adz', value=-20.5851)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='BP86D2', mode='CP', basis='adz', value=-18.0088)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='BP86D2', mode='CP', basis='adz', value=-17.1044)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='BP86D2', mode='CP', basis='adz', value=-0.1292)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='BP86D2', mode='CP', basis='adz', value=-1.3116)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='BP86D2', mode='CP', basis='adz', value=-1.2081)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='BP86D2', mode='CP', basis='adz', value=-2.4131)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='BP86D2', mode='CP', basis='adz', value=-3.9834)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='BP86D2', mode='CP', basis='adz', value=-9.5709)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='BP86D2', mode='CP', basis='adz', value=-4.6919)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='BP86D2', mode='CP', basis='adz', value=-12.3210)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='BP86D2', mode='CP', basis='adz', value=-1.3921)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='BP86D2', mode='CP', basis='adz', value=-3.2392)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='BP86D2', mode='CP', basis='adz', value=-2.1097)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='BP86D2', mode='CP', basis='adz', value=-4.7401)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='BP86D2', mode='CP', basis='adz', value=-2.5511)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='BP86D2', mode='CP', basis='adz', value=-5.7440)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='BP86D2', mode='CP', basis='adz', value=-6.5636)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='BP86D2', mode='unCP', basis='atz', value=-3.3455)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='BP86D2', mode='unCP', basis='atz', value=-4.9436)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='BP86D2', mode='unCP', basis='atz', value=-20.0245)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='BP86D2', mode='unCP', basis='atz', value=-16.5638)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='BP86D2', mode='unCP', basis='atz', value=-21.1127)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='BP86D2', mode='unCP', basis='atz', value=-18.4140)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='BP86D2', mode='unCP', basis='atz', value=-17.5873)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='BP86D2', mode='unCP', basis='atz', value=-0.1209)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='BP86D2', mode='unCP', basis='atz', value=-1.3718)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='BP86D2', mode='unCP', basis='atz', value=-1.3507)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='BP86D2', mode='unCP', basis='atz', value=-2.5621)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='BP86D2', mode='unCP', basis='atz', value=-4.2201)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='BP86D2', mode='unCP', basis='atz', value=-10.0817)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='BP86D2', mode='unCP', basis='atz', value=-4.9263)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='BP86D2', mode='unCP', basis='atz', value=-12.8467)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='BP86D2', mode='unCP', basis='atz', value=-1.5550)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='BP86D2', mode='unCP', basis='atz', value=-3.4650)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='BP86D2', mode='unCP', basis='atz', value=-2.3117)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='BP86D2', mode='unCP', basis='atz', value=-5.0983)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='BP86D2', mode='unCP', basis='atz', value=-2.8031)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='BP86D2', mode='unCP', basis='atz', value=-6.2262)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='BP86D2', mode='unCP', basis='atz', value=-6.8920)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='BP86D2', mode='CP', basis='atz', value=-3.3239)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='BP86D2', mode='CP', basis='atz', value=-4.8879)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='BP86D2', mode='CP', basis='atz', value=-19.7480)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='BP86D2', mode='CP', basis='atz', value=-16.3439)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='BP86D2', mode='CP', basis='atz', value=-20.7320)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='BP86D2', mode='CP', basis='atz', value=-18.0950)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='BP86D2', mode='CP', basis='atz', value=-17.1889)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='BP86D2', mode='CP', basis='atz', value=-0.0970)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='BP86D2', mode='CP', basis='atz', value=-1.2910)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='BP86D2', mode='CP', basis='atz', value=-1.2406)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='BP86D2', mode='CP', basis='atz', value=-2.3460)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='BP86D2', mode='CP', basis='atz', value=-3.9556)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='BP86D2', mode='CP', basis='atz', value=-9.6652)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='BP86D2', mode='CP', basis='atz', value=-4.5941)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='BP86D2', mode='CP', basis='atz', value=-12.3118)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='BP86D2', mode='CP', basis='atz', value=-1.4495)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='BP86D2', mode='CP', basis='atz', value=-3.3450)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='BP86D2', mode='CP', basis='atz', value=-2.2025)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='BP86D2', mode='CP', basis='atz', value=-4.9094)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='BP86D2', mode='CP', basis='atz', value=-2.5940)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='BP86D2', mode='CP', basis='atz', value=-5.9241)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='BP86D2', mode='CP', basis='atz', value=-6.6228)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='BP86D2', mode='unCP', basis='dz', value=-6.1048)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='BP86D2', mode='unCP', basis='dz', value=-8.4905)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='BP86D2', mode='unCP', basis='dz', value=-25.3377)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='BP86D2', mode='unCP', basis='dz', value=-21.2017)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='BP86D2', mode='unCP', basis='dz', value=-24.4429)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='BP86D2', mode='unCP', basis='dz', value=-22.2747)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='BP86D2', mode='unCP', basis='dz', value=-21.8794)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='BP86D2', mode='unCP', basis='dz', value=-0.2856)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='BP86D2', mode='unCP', basis='dz', value=-1.7978)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='BP86D2', mode='unCP', basis='dz', value=-1.5394)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='BP86D2', mode='unCP', basis='dz', value=-3.1829)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='BP86D2', mode='unCP', basis='dz', value=-5.1960)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='BP86D2', mode='unCP', basis='dz', value=-12.1682)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='BP86D2', mode='unCP', basis='dz', value=-5.9050)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='BP86D2', mode='unCP', basis='dz', value=-15.6715)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='BP86D2', mode='unCP', basis='dz', value=-1.9392)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='BP86D2', mode='unCP', basis='dz', value=-4.2262)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='BP86D2', mode='unCP', basis='dz', value=-2.6814)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='BP86D2', mode='unCP', basis='dz', value=-5.3286)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='BP86D2', mode='unCP', basis='dz', value=-3.2591)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='BP86D2', mode='unCP', basis='dz', value=-6.9636)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='BP86D2', mode='unCP', basis='dz', value=-9.7708)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='BP86D2', mode='CP', basis='dz', value=-3.1758)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='BP86D2', mode='CP', basis='dz', value=-4.9551)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='BP86D2', mode='CP', basis='dz', value=-19.5516)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='BP86D2', mode='CP', basis='dz', value=-15.8848)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='BP86D2', mode='CP', basis='dz', value=-20.2745)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='BP86D2', mode='CP', basis='dz', value=-18.0962)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='BP86D2', mode='CP', basis='dz', value=-16.9561)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='BP86D2', mode='CP', basis='dz', value=-0.1200)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='BP86D2', mode='CP', basis='dz', value=-1.2015)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='BP86D2', mode='CP', basis='dz', value=-1.1377)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='BP86D2', mode='CP', basis='dz', value=-2.1173)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='BP86D2', mode='CP', basis='dz', value=-3.6401)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='BP86D2', mode='CP', basis='dz', value=-8.9555)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='BP86D2', mode='CP', basis='dz', value=-4.2397)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='BP86D2', mode='CP', basis='dz', value=-11.4987)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='BP86D2', mode='CP', basis='dz', value=-1.5804)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='BP86D2', mode='CP', basis='dz', value=-3.0247)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='BP86D2', mode='CP', basis='dz', value=-2.0295)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='BP86D2', mode='CP', basis='dz', value=-4.7760)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='BP86D2', mode='CP', basis='dz', value=-2.5964)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='BP86D2', mode='CP', basis='dz', value=-5.9137)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='BP86D2', mode='CP', basis='dz', value=-6.6145)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='BP86D2', mode='unCP', basis='tz', value=-4.6435)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='BP86D2', mode='unCP', basis='tz', value=-6.4775)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='BP86D2', mode='unCP', basis='tz', value=-21.4525)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='BP86D2', mode='unCP', basis='tz', value=-17.8723)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='BP86D2', mode='unCP', basis='tz', value=-21.7885)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='BP86D2', mode='unCP', basis='tz', value=-19.4424)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='BP86D2', mode='unCP', basis='tz', value=-18.6247)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='BP86D2', mode='unCP', basis='tz', value=-0.1270)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='BP86D2', mode='unCP', basis='tz', value=-1.4573)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='BP86D2', mode='unCP', basis='tz', value=-1.3796)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='BP86D2', mode='unCP', basis='tz', value=-2.6960)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='BP86D2', mode='unCP', basis='tz', value=-4.5109)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='BP86D2', mode='unCP', basis='tz', value=-10.8260)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='BP86D2', mode='unCP', basis='tz', value=-5.1900)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='BP86D2', mode='unCP', basis='tz', value=-13.8008)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='BP86D2', mode='unCP', basis='tz', value=-1.6026)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='BP86D2', mode='unCP', basis='tz', value=-4.3076)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='BP86D2', mode='unCP', basis='tz', value=-2.6870)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='BP86D2', mode='unCP', basis='tz', value=-5.1111)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='BP86D2', mode='unCP', basis='tz', value=-2.8459)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='BP86D2', mode='unCP', basis='tz', value=-6.4743)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='BP86D2', mode='unCP', basis='tz', value=-7.7775)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='BP86D2', mode='CP', basis='tz', value=-3.4688)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='BP86D2', mode='CP', basis='tz', value=-4.9473)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='BP86D2', mode='CP', basis='tz', value=-19.9223)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='BP86D2', mode='CP', basis='tz', value=-16.4321)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='BP86D2', mode='CP', basis='tz', value=-20.6901)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='BP86D2', mode='CP', basis='tz', value=-18.1835)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='BP86D2', mode='CP', basis='tz', value=-17.2067)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='BP86D2', mode='CP', basis='tz', value=-0.0969)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='BP86D2', mode='CP', basis='tz', value=-1.3080)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='BP86D2', mode='CP', basis='tz', value=-1.2678)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='BP86D2', mode='CP', basis='tz', value=-2.2999)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='BP86D2', mode='CP', basis='tz', value=-3.8900)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='BP86D2', mode='CP', basis='tz', value=-9.5925)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='BP86D2', mode='CP', basis='tz', value=-4.4992)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='BP86D2', mode='CP', basis='tz', value=-12.1574)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='BP86D2', mode='CP', basis='tz', value=-1.4817)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='BP86D2', mode='CP', basis='tz', value=-3.2693)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='BP86D2', mode='CP', basis='tz', value=-2.1734)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='BP86D2', mode='CP', basis='tz', value=-4.9756)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='BP86D2', mode='CP', basis='tz', value=-2.6309)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='BP86D2', mode='CP', basis='tz', value=-6.0002)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='BP86D2', mode='CP', basis='tz', value=-6.6467)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='BP86D2', mode='unCP', basis='hadz', value=-3.3578)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='BP86D2', mode='unCP', basis='hadz', value=-5.3171)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='BP86D2', mode='unCP', basis='hadz', value=-20.0281)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='BP86D2', mode='unCP', basis='hadz', value=-16.7408)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='BP86D2', mode='unCP', basis='hadz', value=-21.3148)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='BP86D2', mode='unCP', basis='hadz', value=-18.7177)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='BP86D2', mode='unCP', basis='hadz', value=-17.8987)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='BP86D2', mode='unCP', basis='hadz', value=-0.2914)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='BP86D2', mode='unCP', basis='hadz', value=-1.4693)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='BP86D2', mode='unCP', basis='hadz', value=-1.4509)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='BP86D2', mode='unCP', basis='hadz', value=-3.0931)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='BP86D2', mode='unCP', basis='hadz', value=-4.7708)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='BP86D2', mode='unCP', basis='hadz', value=-10.7043)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='BP86D2', mode='unCP', basis='hadz', value=-5.7942)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='BP86D2', mode='unCP', basis='hadz', value=-13.9523)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='BP86D2', mode='unCP', basis='hadz', value=-1.5851)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='BP86D2', mode='unCP', basis='hadz', value=-3.7340)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='BP86D2', mode='unCP', basis='hadz', value=-2.4158)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='BP86D2', mode='unCP', basis='hadz', value=-5.1119)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='BP86D2', mode='unCP', basis='hadz', value=-3.1095)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='BP86D2', mode='unCP', basis='hadz', value=-6.4568)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='BP86D2', mode='unCP', basis='hadz', value=-7.1712)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='BP86D2', mode='CP', basis='hadz', value=-3.1785)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='BP86D2', mode='CP', basis='hadz', value=-4.9233)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='BP86D2', mode='CP', basis='hadz', value=-19.4444)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='BP86D2', mode='CP', basis='hadz', value=-16.1765)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='BP86D2', mode='CP', basis='hadz', value=-20.5498)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='BP86D2', mode='CP', basis='hadz', value=-17.9932)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='BP86D2', mode='CP', basis='hadz', value=-17.0781)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='BP86D2', mode='CP', basis='hadz', value=-0.1211)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='BP86D2', mode='CP', basis='hadz', value=-1.2154)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='BP86D2', mode='CP', basis='hadz', value=-1.2395)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='BP86D2', mode='CP', basis='hadz', value=-2.4222)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='BP86D2', mode='CP', basis='hadz', value=-3.9939)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='BP86D2', mode='CP', basis='hadz', value=-9.5655)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='BP86D2', mode='CP', basis='hadz', value=-4.6989)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='BP86D2', mode='CP', basis='hadz', value=-12.3531)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='BP86D2', mode='CP', basis='hadz', value=-1.3910)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='BP86D2', mode='CP', basis='hadz', value=-3.3260)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='BP86D2', mode='CP', basis='hadz', value=-2.1848)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='BP86D2', mode='CP', basis='hadz', value=-4.7380)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='BP86D2', mode='CP', basis='hadz', value=-2.5780)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='BP86D2', mode='CP', basis='hadz', value=-5.7515)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='BP86D2', mode='CP', basis='hadz', value=-6.5419)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='BP86D2', mode='unCP', basis='hatz', value=-3.3671)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='BP86D2', mode='unCP', basis='hatz', value=-4.9828)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='BP86D2', mode='unCP', basis='hatz', value=-19.9313)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='BP86D2', mode='unCP', basis='hatz', value=-16.5011)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='BP86D2', mode='unCP', basis='hatz', value=-20.9880)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='BP86D2', mode='unCP', basis='hatz', value=-18.3390)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='BP86D2', mode='unCP', basis='hatz', value=-17.4764)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='BP86D2', mode='unCP', basis='hatz', value=-0.1263)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='BP86D2', mode='unCP', basis='hatz', value=-1.3195)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='BP86D2', mode='unCP', basis='hatz', value=-1.3122)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='BP86D2', mode='unCP', basis='hatz', value=-2.5409)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='BP86D2', mode='unCP', basis='hatz', value=-4.2056)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='BP86D2', mode='unCP', basis='hatz', value=-10.0462)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='BP86D2', mode='unCP', basis='hatz', value=-4.9108)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='BP86D2', mode='unCP', basis='hatz', value=-12.8308)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='BP86D2', mode='unCP', basis='hatz', value=-1.5170)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='BP86D2', mode='unCP', basis='hatz', value=-3.4888)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='BP86D2', mode='unCP', basis='hatz', value=-2.2759)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='BP86D2', mode='unCP', basis='hatz', value=-5.0311)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='BP86D2', mode='unCP', basis='hatz', value=-2.7485)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='BP86D2', mode='unCP', basis='hatz', value=-6.1528)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='BP86D2', mode='unCP', basis='hatz', value=-6.8395)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='BP86D2', mode='CP', basis='hatz', value=-3.3222)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='BP86D2', mode='CP', basis='hatz', value=-4.9041)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='BP86D2', mode='CP', basis='hatz', value=-19.7362)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='BP86D2', mode='CP', basis='hatz', value=-16.3419)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='BP86D2', mode='CP', basis='hatz', value=-20.7360)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='BP86D2', mode='CP', basis='hatz', value=-18.0905)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='BP86D2', mode='CP', basis='hatz', value=-17.1847)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='BP86D2', mode='CP', basis='hatz', value=-0.1006)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='BP86D2', mode='CP', basis='hatz', value=-1.2817)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='BP86D2', mode='CP', basis='hatz', value=-1.2367)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='BP86D2', mode='CP', basis='hatz', value=-2.3477)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='BP86D2', mode='CP', basis='hatz', value=-3.9517)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='BP86D2', mode='CP', basis='hatz', value=-9.6594)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='BP86D2', mode='CP', basis='hatz', value=-4.5937)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='BP86D2', mode='CP', basis='hatz', value=-12.3020)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='BP86D2', mode='CP', basis='hatz', value=-1.4443)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='BP86D2', mode='CP', basis='hatz', value=-3.3405)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='BP86D2', mode='CP', basis='hatz', value=-2.1969)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='BP86D2', mode='CP', basis='hatz', value=-4.8976)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='BP86D2', mode='CP', basis='hatz', value=-2.5995)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='BP86D2', mode='CP', basis='hatz', value=-5.9198)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='BP86D2', mode='CP', basis='hatz', value=-6.6182)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='BP86D3', mode='unCP', basis='adz', value=-3.0714)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='BP86D3', mode='unCP', basis='adz', value=-5.0549)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='BP86D3', mode='unCP', basis='adz', value=-20.2755)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='BP86D3', mode='unCP', basis='adz', value=-17.1740)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='BP86D3', mode='unCP', basis='adz', value=-21.9816)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='BP86D3', mode='unCP', basis='adz', value=-19.4714)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='BP86D3', mode='unCP', basis='adz', value=-18.7769)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='BP86D3', mode='unCP', basis='adz', value=-0.7195)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='BP86D3', mode='unCP', basis='adz', value=-2.1392)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='BP86D3', mode='unCP', basis='adz', value=-1.9639)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='BP86D3', mode='unCP', basis='adz', value=-4.3956)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='BP86D3', mode='unCP', basis='adz', value=-5.9027)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='BP86D3', mode='unCP', basis='adz', value=-12.0968)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='BP86D3', mode='unCP', basis='adz', value=-7.0569)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='BP86D3', mode='unCP', basis='adz', value=-14.9533)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='BP86D3', mode='unCP', basis='adz', value=-1.9912)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='BP86D3', mode='unCP', basis='adz', value=-3.8827)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='BP86D3', mode='unCP', basis='adz', value=-2.8784)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='BP86D3', mode='unCP', basis='adz', value=-5.2413)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='BP86D3', mode='unCP', basis='adz', value=-3.7900)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='BP86D3', mode='unCP', basis='adz', value=-7.0354)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='BP86D3', mode='unCP', basis='adz', value=-7.9997)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='BP86D3', mode='CP', basis='adz', value=-2.7965)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='BP86D3', mode='CP', basis='adz', value=-4.8349)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='BP86D3', mode='CP', basis='adz', value=-19.6121)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='BP86D3', mode='CP', basis='adz', value=-16.4373)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='BP86D3', mode='CP', basis='adz', value=-20.9069)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='BP86D3', mode='CP', basis='adz', value=-18.3443)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='BP86D3', mode='CP', basis='adz', value=-17.5845)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='BP86D3', mode='CP', basis='adz', value=-0.3850)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='BP86D3', mode='CP', basis='adz', value=-1.7007)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='BP86D3', mode='CP', basis='adz', value=-1.5401)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='BP86D3', mode='CP', basis='adz', value=-3.4895)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='BP86D3', mode='CP', basis='adz', value=-4.9252)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='BP86D3', mode='CP', basis='adz', value=-10.9144)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='BP86D3', mode='CP', basis='adz', value=-5.7709)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='BP86D3', mode='CP', basis='adz', value=-13.1625)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='BP86D3', mode='CP', basis='adz', value=-1.5909)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='BP86D3', mode='CP', basis='adz', value=-3.5058)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='BP86D3', mode='CP', basis='adz', value=-2.4508)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='BP86D3', mode='CP', basis='adz', value=-4.6362)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='BP86D3', mode='CP', basis='adz', value=-2.9223)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='BP86D3', mode='CP', basis='adz', value=-5.8356)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='BP86D3', mode='CP', basis='adz', value=-7.2360)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='BP86D3', mode='unCP', basis='atz', value=-2.9330)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='BP86D3', mode='unCP', basis='atz', value=-4.9683)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='BP86D3', mode='unCP', basis='atz', value=-20.1527)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='BP86D3', mode='unCP', basis='atz', value=-16.7851)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='BP86D3', mode='unCP', basis='atz', value=-21.4344)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='BP86D3', mode='unCP', basis='atz', value=-18.7495)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='BP86D3', mode='unCP', basis='atz', value=-18.0674)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='BP86D3', mode='unCP', basis='atz', value=-0.3767)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='BP86D3', mode='unCP', basis='atz', value=-1.7609)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='BP86D3', mode='unCP', basis='atz', value=-1.6828)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='BP86D3', mode='unCP', basis='atz', value=-3.6386)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='BP86D3', mode='unCP', basis='atz', value=-5.1618)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='BP86D3', mode='unCP', basis='atz', value=-11.4252)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='BP86D3', mode='unCP', basis='atz', value=-6.0053)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='BP86D3', mode='unCP', basis='atz', value=-13.6881)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='BP86D3', mode='unCP', basis='atz', value=-1.7539)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='BP86D3', mode='unCP', basis='atz', value=-3.7316)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='BP86D3', mode='unCP', basis='atz', value=-2.6528)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='BP86D3', mode='unCP', basis='atz', value=-4.9943)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='BP86D3', mode='unCP', basis='atz', value=-3.1744)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='BP86D3', mode='unCP', basis='atz', value=-6.3177)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='BP86D3', mode='unCP', basis='atz', value=-7.5644)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='BP86D3', mode='CP', basis='atz', value=-2.9114)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='BP86D3', mode='CP', basis='atz', value=-4.9126)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='BP86D3', mode='CP', basis='atz', value=-19.8762)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='BP86D3', mode='CP', basis='atz', value=-16.5652)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='BP86D3', mode='CP', basis='atz', value=-21.0538)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='BP86D3', mode='CP', basis='atz', value=-18.4304)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='BP86D3', mode='CP', basis='atz', value=-17.6690)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='BP86D3', mode='CP', basis='atz', value=-0.3528)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='BP86D3', mode='CP', basis='atz', value=-1.6801)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='BP86D3', mode='CP', basis='atz', value=-1.5726)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='BP86D3', mode='CP', basis='atz', value=-3.4225)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='BP86D3', mode='CP', basis='atz', value=-4.8973)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='BP86D3', mode='CP', basis='atz', value=-11.0086)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='BP86D3', mode='CP', basis='atz', value=-5.6732)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='BP86D3', mode='CP', basis='atz', value=-13.1532)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='BP86D3', mode='CP', basis='atz', value=-1.6484)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='BP86D3', mode='CP', basis='atz', value=-3.6116)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='BP86D3', mode='CP', basis='atz', value=-2.5436)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='BP86D3', mode='CP', basis='atz', value=-4.8054)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='BP86D3', mode='CP', basis='atz', value=-2.9652)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='BP86D3', mode='CP', basis='atz', value=-6.0156)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='BP86D3', mode='CP', basis='atz', value=-7.2951)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='BP86D3', mode='unCP', basis='dz', value=-5.6923)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='BP86D3', mode='unCP', basis='dz', value=-8.5151)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='BP86D3', mode='unCP', basis='dz', value=-25.4659)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='BP86D3', mode='unCP', basis='dz', value=-21.4230)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='BP86D3', mode='unCP', basis='dz', value=-24.7646)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='BP86D3', mode='unCP', basis='dz', value=-22.6102)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='BP86D3', mode='unCP', basis='dz', value=-22.3595)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='BP86D3', mode='unCP', basis='dz', value=-0.5414)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='BP86D3', mode='unCP', basis='dz', value=-2.1869)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='BP86D3', mode='unCP', basis='dz', value=-1.8714)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='BP86D3', mode='unCP', basis='dz', value=-4.2593)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='BP86D3', mode='unCP', basis='dz', value=-6.1377)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='BP86D3', mode='unCP', basis='dz', value=-13.5117)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='BP86D3', mode='unCP', basis='dz', value=-6.9840)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='BP86D3', mode='unCP', basis='dz', value=-16.5129)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='BP86D3', mode='unCP', basis='dz', value=-2.1381)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='BP86D3', mode='unCP', basis='dz', value=-4.4929)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='BP86D3', mode='unCP', basis='dz', value=-3.0225)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='BP86D3', mode='unCP', basis='dz', value=-5.2247)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='BP86D3', mode='unCP', basis='dz', value=-3.6303)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='BP86D3', mode='unCP', basis='dz', value=-7.0552)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='BP86D3', mode='unCP', basis='dz', value=-10.4431)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='BP86D3', mode='CP', basis='dz', value=-2.7633)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='BP86D3', mode='CP', basis='dz', value=-4.9798)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='BP86D3', mode='CP', basis='dz', value=-19.6798)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='BP86D3', mode='CP', basis='dz', value=-16.1061)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='BP86D3', mode='CP', basis='dz', value=-20.5963)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='BP86D3', mode='CP', basis='dz', value=-18.4317)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='BP86D3', mode='CP', basis='dz', value=-17.4361)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='BP86D3', mode='CP', basis='dz', value=-0.3758)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='BP86D3', mode='CP', basis='dz', value=-1.5906)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='BP86D3', mode='CP', basis='dz', value=-1.4697)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='BP86D3', mode='CP', basis='dz', value=-3.1938)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='BP86D3', mode='CP', basis='dz', value=-4.5818)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='BP86D3', mode='CP', basis='dz', value=-10.2990)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='BP86D3', mode='CP', basis='dz', value=-5.3188)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='BP86D3', mode='CP', basis='dz', value=-12.3402)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='BP86D3', mode='CP', basis='dz', value=-1.7792)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='BP86D3', mode='CP', basis='dz', value=-3.2913)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='BP86D3', mode='CP', basis='dz', value=-2.3706)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='BP86D3', mode='CP', basis='dz', value=-4.6721)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='BP86D3', mode='CP', basis='dz', value=-2.9677)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='BP86D3', mode='CP', basis='dz', value=-6.0052)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='BP86D3', mode='CP', basis='dz', value=-7.2868)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='BP86D3', mode='unCP', basis='tz', value=-4.2310)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='BP86D3', mode='unCP', basis='tz', value=-6.5022)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='BP86D3', mode='unCP', basis='tz', value=-21.5807)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='BP86D3', mode='unCP', basis='tz', value=-18.0935)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='BP86D3', mode='unCP', basis='tz', value=-22.1103)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='BP86D3', mode='unCP', basis='tz', value=-19.7779)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='BP86D3', mode='unCP', basis='tz', value=-19.1048)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='BP86D3', mode='unCP', basis='tz', value=-0.3828)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='BP86D3', mode='unCP', basis='tz', value=-1.8463)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='BP86D3', mode='unCP', basis='tz', value=-1.7116)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='BP86D3', mode='unCP', basis='tz', value=-3.7724)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='BP86D3', mode='unCP', basis='tz', value=-5.4526)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='BP86D3', mode='unCP', basis='tz', value=-12.1695)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='BP86D3', mode='unCP', basis='tz', value=-6.2691)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='BP86D3', mode='unCP', basis='tz', value=-14.6423)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='BP86D3', mode='unCP', basis='tz', value=-1.8015)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='BP86D3', mode='unCP', basis='tz', value=-4.5743)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='BP86D3', mode='unCP', basis='tz', value=-3.0281)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='BP86D3', mode='unCP', basis='tz', value=-5.0072)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='BP86D3', mode='unCP', basis='tz', value=-3.2171)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='BP86D3', mode='unCP', basis='tz', value=-6.5659)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='BP86D3', mode='unCP', basis='tz', value=-8.4499)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='BP86D3', mode='CP', basis='tz', value=-3.0563)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='BP86D3', mode='CP', basis='tz', value=-4.9719)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='BP86D3', mode='CP', basis='tz', value=-20.0505)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='BP86D3', mode='CP', basis='tz', value=-16.6534)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='BP86D3', mode='CP', basis='tz', value=-21.0118)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='BP86D3', mode='CP', basis='tz', value=-18.5190)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='BP86D3', mode='CP', basis='tz', value=-17.6868)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='BP86D3', mode='CP', basis='tz', value=-0.3527)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='BP86D3', mode='CP', basis='tz', value=-1.6970)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='BP86D3', mode='CP', basis='tz', value=-1.5998)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='BP86D3', mode='CP', basis='tz', value=-3.3764)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='BP86D3', mode='CP', basis='tz', value=-4.8317)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='BP86D3', mode='CP', basis='tz', value=-10.9360)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='BP86D3', mode='CP', basis='tz', value=-5.5782)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='BP86D3', mode='CP', basis='tz', value=-12.9989)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='BP86D3', mode='CP', basis='tz', value=-1.6806)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='BP86D3', mode='CP', basis='tz', value=-3.5360)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='BP86D3', mode='CP', basis='tz', value=-2.5145)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='BP86D3', mode='CP', basis='tz', value=-4.8717)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='BP86D3', mode='CP', basis='tz', value=-3.0021)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='BP86D3', mode='CP', basis='tz', value=-6.0918)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='BP86D3', mode='CP', basis='tz', value=-7.3190)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='BP86D3', mode='unCP', basis='hadz', value=-2.9453)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='BP86D3', mode='unCP', basis='hadz', value=-5.3418)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='BP86D3', mode='unCP', basis='hadz', value=-20.1563)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='BP86D3', mode='unCP', basis='hadz', value=-16.9621)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='BP86D3', mode='unCP', basis='hadz', value=-21.6366)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='BP86D3', mode='unCP', basis='hadz', value=-19.0532)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='BP86D3', mode='unCP', basis='hadz', value=-18.3788)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='BP86D3', mode='unCP', basis='hadz', value=-0.5472)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='BP86D3', mode='unCP', basis='hadz', value=-1.8584)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='BP86D3', mode='unCP', basis='hadz', value=-1.7830)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='BP86D3', mode='unCP', basis='hadz', value=-4.1696)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='BP86D3', mode='unCP', basis='hadz', value=-5.7125)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='BP86D3', mode='unCP', basis='hadz', value=-12.0478)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='BP86D3', mode='unCP', basis='hadz', value=-6.8733)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='BP86D3', mode='unCP', basis='hadz', value=-14.7938)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='BP86D3', mode='unCP', basis='hadz', value=-1.7839)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='BP86D3', mode='unCP', basis='hadz', value=-4.0006)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='BP86D3', mode='unCP', basis='hadz', value=-2.7569)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='BP86D3', mode='unCP', basis='hadz', value=-5.0080)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='BP86D3', mode='unCP', basis='hadz', value=-3.4807)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='BP86D3', mode='unCP', basis='hadz', value=-6.5484)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='BP86D3', mode='unCP', basis='hadz', value=-7.8436)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='BP86D3', mode='CP', basis='hadz', value=-2.7660)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='BP86D3', mode='CP', basis='hadz', value=-4.9480)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='BP86D3', mode='CP', basis='hadz', value=-19.5726)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='BP86D3', mode='CP', basis='hadz', value=-16.3978)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='BP86D3', mode='CP', basis='hadz', value=-20.8716)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='BP86D3', mode='CP', basis='hadz', value=-18.3287)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='BP86D3', mode='CP', basis='hadz', value=-17.5582)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='BP86D3', mode='CP', basis='hadz', value=-0.3769)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='BP86D3', mode='CP', basis='hadz', value=-1.6045)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='BP86D3', mode='CP', basis='hadz', value=-1.5715)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='BP86D3', mode='CP', basis='hadz', value=-3.4986)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='BP86D3', mode='CP', basis='hadz', value=-4.9356)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='BP86D3', mode='CP', basis='hadz', value=-10.9090)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='BP86D3', mode='CP', basis='hadz', value=-5.7779)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='BP86D3', mode='CP', basis='hadz', value=-13.1945)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='BP86D3', mode='CP', basis='hadz', value=-1.5899)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='BP86D3', mode='CP', basis='hadz', value=-3.5926)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='BP86D3', mode='CP', basis='hadz', value=-2.5259)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='BP86D3', mode='CP', basis='hadz', value=-4.6341)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='BP86D3', mode='CP', basis='hadz', value=-2.9492)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='BP86D3', mode='CP', basis='hadz', value=-5.8431)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='BP86D3', mode='CP', basis='hadz', value=-7.2143)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='BP86D3', mode='unCP', basis='hatz', value=-2.9546)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='BP86D3', mode='unCP', basis='hatz', value=-5.0075)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='BP86D3', mode='unCP', basis='hatz', value=-20.0595)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='BP86D3', mode='unCP', basis='hatz', value=-16.7224)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='BP86D3', mode='unCP', basis='hatz', value=-21.3098)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='BP86D3', mode='unCP', basis='hatz', value=-18.6745)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='BP86D3', mode='unCP', basis='hatz', value=-17.9564)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='BP86D3', mode='unCP', basis='hatz', value=-0.3821)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='BP86D3', mode='unCP', basis='hatz', value=-1.7086)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='BP86D3', mode='unCP', basis='hatz', value=-1.6442)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='BP86D3', mode='unCP', basis='hatz', value=-3.6173)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='BP86D3', mode='unCP', basis='hatz', value=-5.1473)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='BP86D3', mode='unCP', basis='hatz', value=-11.3897)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='BP86D3', mode='unCP', basis='hatz', value=-5.9898)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='BP86D3', mode='unCP', basis='hatz', value=-13.6723)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='BP86D3', mode='unCP', basis='hatz', value=-1.7158)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='BP86D3', mode='unCP', basis='hatz', value=-3.7554)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='BP86D3', mode='unCP', basis='hatz', value=-2.6170)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='BP86D3', mode='unCP', basis='hatz', value=-4.9272)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='BP86D3', mode='unCP', basis='hatz', value=-3.1198)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='BP86D3', mode='unCP', basis='hatz', value=-6.2443)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='BP86D3', mode='unCP', basis='hatz', value=-7.5118)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='BP86D3', mode='CP', basis='hatz', value=-2.9097)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='BP86D3', mode='CP', basis='hatz', value=-4.9288)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='BP86D3', mode='CP', basis='hatz', value=-19.8644)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='BP86D3', mode='CP', basis='hatz', value=-16.5632)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='BP86D3', mode='CP', basis='hatz', value=-21.0578)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='BP86D3', mode='CP', basis='hatz', value=-18.4260)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='BP86D3', mode='CP', basis='hatz', value=-17.6648)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='BP86D3', mode='CP', basis='hatz', value=-0.3564)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='BP86D3', mode='CP', basis='hatz', value=-1.6707)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='BP86D3', mode='CP', basis='hatz', value=-1.5687)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='BP86D3', mode='CP', basis='hatz', value=-3.4242)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='BP86D3', mode='CP', basis='hatz', value=-4.8934)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='BP86D3', mode='CP', basis='hatz', value=-11.0028)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='BP86D3', mode='CP', basis='hatz', value=-5.6728)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='BP86D3', mode='CP', basis='hatz', value=-13.1435)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='BP86D3', mode='CP', basis='hatz', value=-1.6432)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='BP86D3', mode='CP', basis='hatz', value=-3.6071)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='BP86D3', mode='CP', basis='hatz', value=-2.5380)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='BP86D3', mode='CP', basis='hatz', value=-4.7937)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='BP86D3', mode='CP', basis='hatz', value=-2.9707)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='BP86D3', mode='CP', basis='hatz', value=-6.0114)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='BP86D3', mode='CP', basis='hatz', value=-7.2905)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='M052XD3', mode='unCP', basis='adz', value=-3.4512)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='M052XD3', mode='unCP', basis='adz', value=-5.2788)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='M052XD3', mode='unCP', basis='adz', value=-19.7684)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='M052XD3', mode='unCP', basis='adz', value=-16.5250)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='M052XD3', mode='unCP', basis='adz', value=-20.9351)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='M052XD3', mode='unCP', basis='adz', value=-17.1199)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='M052XD3', mode='unCP', basis='adz', value=-16.7052)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='M052XD3', mode='unCP', basis='adz', value=-1.0927)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='M052XD3', mode='unCP', basis='adz', value=-2.0820)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='M052XD3', mode='unCP', basis='adz', value=-2.1219)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='M052XD3', mode='unCP', basis='adz', value=-3.8161)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='M052XD3', mode='unCP', basis='adz', value=-5.0820)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='M052XD3', mode='unCP', basis='adz', value=-11.1360)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='M052XD3', mode='unCP', basis='adz', value=-5.8937)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='M052XD3', mode='unCP', basis='adz', value=-13.5557)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='M052XD3', mode='unCP', basis='adz', value=-2.0454)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='M052XD3', mode='unCP', basis='adz', value=-4.2553)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='M052XD3', mode='unCP', basis='adz', value=-3.1256)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='M052XD3', mode='unCP', basis='adz', value=-5.7074)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='M052XD3', mode='unCP', basis='adz', value=-3.8315)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='M052XD3', mode='unCP', basis='adz', value=-7.0931)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='M052XD3', mode='unCP', basis='adz', value=-7.6826)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='M052XD3', mode='CP', basis='adz', value=-3.1622)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='M052XD3', mode='CP', basis='adz', value=-5.0637)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='M052XD3', mode='CP', basis='adz', value=-19.1393)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='M052XD3', mode='CP', basis='adz', value=-15.7927)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='M052XD3', mode='CP', basis='adz', value=-19.8854)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='M052XD3', mode='CP', basis='adz', value=-15.9693)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='M052XD3', mode='CP', basis='adz', value=-15.5097)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='M052XD3', mode='CP', basis='adz', value=-0.7499)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='M052XD3', mode='CP', basis='adz', value=-1.6330)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='M052XD3', mode='CP', basis='adz', value=-1.5905)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='M052XD3', mode='CP', basis='adz', value=-2.6881)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='M052XD3', mode='CP', basis='adz', value=-4.0119)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='M052XD3', mode='CP', basis='adz', value=-9.8863)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='M052XD3', mode='CP', basis='adz', value=-4.3339)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='M052XD3', mode='CP', basis='adz', value=-11.6347)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='M052XD3', mode='CP', basis='adz', value=-1.5974)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='M052XD3', mode='CP', basis='adz', value=-3.8125)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='M052XD3', mode='CP', basis='adz', value=-2.5980)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='M052XD3', mode='CP', basis='adz', value=-5.0167)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='M052XD3', mode='CP', basis='adz', value=-2.8071)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='M052XD3', mode='CP', basis='adz', value=-5.7586)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='M052XD3', mode='CP', basis='adz', value=-6.8427)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='M052XD3', mode='unCP', basis='atz', value=-3.2873)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='M052XD3', mode='unCP', basis='atz', value=-5.3096)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='M052XD3', mode='unCP', basis='atz', value=-20.1065)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='M052XD3', mode='unCP', basis='atz', value=-16.5525)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='M052XD3', mode='unCP', basis='atz', value=-20.9619)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='M052XD3', mode='unCP', basis='atz', value=-16.6523)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='M052XD3', mode='unCP', basis='atz', value=-16.2912)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='M052XD3', mode='unCP', basis='atz', value=-0.6929)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='M052XD3', mode='unCP', basis='atz', value=-1.6638)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='M052XD3', mode='unCP', basis='atz', value=-1.6977)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='M052XD3', mode='unCP', basis='atz', value=-2.6399)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='M052XD3', mode='unCP', basis='atz', value=-4.0810)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='M052XD3', mode='unCP', basis='atz', value=-10.3891)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='M052XD3', mode='unCP', basis='atz', value=-4.3187)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='M052XD3', mode='unCP', basis='atz', value=-11.9932)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='M052XD3', mode='unCP', basis='atz', value=-1.7269)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='M052XD3', mode='unCP', basis='atz', value=-4.0793)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='M052XD3', mode='unCP', basis='atz', value=-2.8169)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='M052XD3', mode='unCP', basis='atz', value=-5.4263)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='M052XD3', mode='unCP', basis='atz', value=-3.0101)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='M052XD3', mode='unCP', basis='atz', value=-6.1635)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='M052XD3', mode='unCP', basis='atz', value=-7.3088)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='M052XD3', mode='CP', basis='atz', value=-3.2515)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='M052XD3', mode='CP', basis='atz', value=-5.2228)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='M052XD3', mode='CP', basis='atz', value=-19.7909)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='M052XD3', mode='CP', basis='atz', value=-16.2838)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='M052XD3', mode='CP', basis='atz', value=-20.5319)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='M052XD3', mode='CP', basis='atz', value=-16.3063)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='M052XD3', mode='CP', basis='atz', value=-15.8470)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='M052XD3', mode='CP', basis='atz', value=-0.6651)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='M052XD3', mode='CP', basis='atz', value=-1.5877)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='M052XD3', mode='CP', basis='atz', value=-1.5614)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='M052XD3', mode='CP', basis='atz', value=-2.3656)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='M052XD3', mode='CP', basis='atz', value=-3.7910)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='M052XD3', mode='CP', basis='atz', value=-9.8644)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='M052XD3', mode='CP', basis='atz', value=-3.9366)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='M052XD3', mode='CP', basis='atz', value=-11.3887)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='M052XD3', mode='CP', basis='atz', value=-1.6103)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='M052XD3', mode='CP', basis='atz', value=-3.9224)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='M052XD3', mode='CP', basis='atz', value=-2.6736)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='M052XD3', mode='CP', basis='atz', value=-5.2002)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='M052XD3', mode='CP', basis='atz', value=-2.7670)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='M052XD3', mode='CP', basis='atz', value=-5.8403)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='M052XD3', mode='CP', basis='atz', value=-6.9595)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='M052XD3', mode='unCP', basis='dz', value=-5.5036)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='M052XD3', mode='unCP', basis='dz', value=-7.9855)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='M052XD3', mode='unCP', basis='dz', value=-24.0463)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='M052XD3', mode='unCP', basis='dz', value=-20.0107)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='M052XD3', mode='unCP', basis='dz', value=-23.1321)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='M052XD3', mode='unCP', basis='dz', value=-19.6208)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='M052XD3', mode='unCP', basis='dz', value=-19.6082)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='M052XD3', mode='unCP', basis='dz', value=-0.7067)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='M052XD3', mode='unCP', basis='dz', value=-1.9233)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='M052XD3', mode='unCP', basis='dz', value=-1.7603)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='M052XD3', mode='unCP', basis='dz', value=-3.2081)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='M052XD3', mode='unCP', basis='dz', value=-4.8460)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='M052XD3', mode='unCP', basis='dz', value=-12.0262)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='M052XD3', mode='unCP', basis='dz', value=-5.2438)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='M052XD3', mode='unCP', basis='dz', value=-14.4865)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='M052XD3', mode='unCP', basis='dz', value=-1.9704)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='M052XD3', mode='unCP', basis='dz', value=-4.3378)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='M052XD3', mode='unCP', basis='dz', value=-2.8393)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='M052XD3', mode='unCP', basis='dz', value=-5.3675)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='M052XD3', mode='unCP', basis='dz', value=-3.2596)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='M052XD3', mode='unCP', basis='dz', value=-6.5358)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='M052XD3', mode='unCP', basis='dz', value=-9.5728)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='M052XD3', mode='CP', basis='dz', value=-2.9595)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='M052XD3', mode='CP', basis='dz', value=-5.0404)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='M052XD3', mode='CP', basis='dz', value=-18.8213)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='M052XD3', mode='CP', basis='dz', value=-15.1075)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='M052XD3', mode='CP', basis='dz', value=-19.4048)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='M052XD3', mode='CP', basis='dz', value=-15.8281)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='M052XD3', mode='CP', basis='dz', value=-15.2498)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='M052XD3', mode='CP', basis='dz', value=-0.6101)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='M052XD3', mode='CP', basis='dz', value=-1.4050)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='M052XD3', mode='CP', basis='dz', value=-1.4216)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='M052XD3', mode='CP', basis='dz', value=-2.2432)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='M052XD3', mode='CP', basis='dz', value=-3.4144)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='M052XD3', mode='CP', basis='dz', value=-8.9696)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='M052XD3', mode='CP', basis='dz', value=-3.7348)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='M052XD3', mode='CP', basis='dz', value=-10.4932)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='M052XD3', mode='CP', basis='dz', value=-1.6500)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='M052XD3', mode='CP', basis='dz', value=-3.3582)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='M052XD3', mode='CP', basis='dz', value=-2.2923)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='M052XD3', mode='CP', basis='dz', value=-4.8693)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='M052XD3', mode='CP', basis='dz', value=-2.6632)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='M052XD3', mode='CP', basis='dz', value=-5.5881)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='M052XD3', mode='CP', basis='dz', value=-6.7613)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='M052XD3', mode='unCP', basis='tz', value=-4.2178)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='M052XD3', mode='unCP', basis='tz', value=-6.2747)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='M052XD3', mode='unCP', basis='tz', value=-20.9772)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='M052XD3', mode='unCP', basis='tz', value=-17.3317)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='M052XD3', mode='unCP', basis='tz', value=-21.1891)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='M052XD3', mode='unCP', basis='tz', value=-17.2257)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='M052XD3', mode='unCP', basis='tz', value=-16.8495)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='M052XD3', mode='unCP', basis='tz', value=-0.6950)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='M052XD3', mode='unCP', basis='tz', value=-1.7147)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='M052XD3', mode='unCP', basis='tz', value=-1.6768)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='M052XD3', mode='unCP', basis='tz', value=-2.6503)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='M052XD3', mode='unCP', basis='tz', value=-4.2261)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='M052XD3', mode='unCP', basis='tz', value=-10.8938)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='M052XD3', mode='unCP', basis='tz', value=-4.4562)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='M052XD3', mode='unCP', basis='tz', value=-12.7481)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='M052XD3', mode='unCP', basis='tz', value=-1.7038)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='M052XD3', mode='unCP', basis='tz', value=-4.4649)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='M052XD3', mode='unCP', basis='tz', value=-2.9165)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='M052XD3', mode='unCP', basis='tz', value=-5.2569)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='M052XD3', mode='unCP', basis='tz', value=-2.9111)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='M052XD3', mode='unCP', basis='tz', value=-6.1972)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='M052XD3', mode='unCP', basis='tz', value=-7.8367)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='M052XD3', mode='CP', basis='tz', value=-3.3272)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='M052XD3', mode='CP', basis='tz', value=-5.1916)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='M052XD3', mode='CP', basis='tz', value=-19.7531)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='M052XD3', mode='CP', basis='tz', value=-16.1638)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='M052XD3', mode='CP', basis='tz', value=-20.3283)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='M052XD3', mode='CP', basis='tz', value=-16.2081)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='M052XD3', mode='CP', basis='tz', value=-15.7420)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='M052XD3', mode='CP', basis='tz', value=-0.6694)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='M052XD3', mode='CP', basis='tz', value=-1.5786)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='M052XD3', mode='CP', basis='tz', value=-1.5781)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='M052XD3', mode='CP', basis='tz', value=-2.3100)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='M052XD3', mode='CP', basis='tz', value=-3.6826)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='M052XD3', mode='CP', basis='tz', value=-9.7767)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='M052XD3', mode='CP', basis='tz', value=-3.8462)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='M052XD3', mode='CP', basis='tz', value=-11.2474)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='M052XD3', mode='CP', basis='tz', value=-1.6141)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='M052XD3', mode='CP', basis='tz', value=-3.7277)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='M052XD3', mode='CP', basis='tz', value=-2.5392)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='M052XD3', mode='CP', basis='tz', value=-5.1415)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='M052XD3', mode='CP', basis='tz', value=-2.7370)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='M052XD3', mode='CP', basis='tz', value=-5.7947)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='M052XD3', mode='CP', basis='tz', value=-6.9087)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='M052XD3', mode='unCP', basis='hadz', value=-3.2787)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='M052XD3', mode='unCP', basis='hadz', value=-5.4432)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='M052XD3', mode='unCP', basis='hadz', value=-19.5880)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='M052XD3', mode='unCP', basis='hadz', value=-16.2987)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='M052XD3', mode='unCP', basis='hadz', value=-20.6083)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='M052XD3', mode='unCP', basis='hadz', value=-16.6970)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='M052XD3', mode='unCP', basis='hadz', value=-16.3038)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='M052XD3', mode='unCP', basis='hadz', value=-0.8459)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='M052XD3', mode='unCP', basis='hadz', value=-1.7925)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='M052XD3', mode='unCP', basis='hadz', value=-1.9032)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='M052XD3', mode='unCP', basis='hadz', value=-3.4827)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='M052XD3', mode='unCP', basis='hadz', value=-4.8592)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='M052XD3', mode='unCP', basis='hadz', value=-11.1092)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='M052XD3', mode='unCP', basis='hadz', value=-5.5974)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='M052XD3', mode='unCP', basis='hadz', value=-13.3850)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='M052XD3', mode='unCP', basis='hadz', value=-1.8094)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='M052XD3', mode='unCP', basis='hadz', value=-4.2932)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='M052XD3', mode='unCP', basis='hadz', value=-2.9650)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='M052XD3', mode='unCP', basis='hadz', value=-5.4989)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='M052XD3', mode='unCP', basis='hadz', value=-3.5062)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='M052XD3', mode='unCP', basis='hadz', value=-6.6097)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='M052XD3', mode='unCP', basis='hadz', value=-7.4801)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='M052XD3', mode='CP', basis='hadz', value=-3.0709)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='M052XD3', mode='CP', basis='hadz', value=-5.1045)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='M052XD3', mode='CP', basis='hadz', value=-19.0617)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='M052XD3', mode='CP', basis='hadz', value=-15.7293)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='M052XD3', mode='CP', basis='hadz', value=-19.8396)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='M052XD3', mode='CP', basis='hadz', value=-15.9338)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='M052XD3', mode='CP', basis='hadz', value=-15.4741)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='M052XD3', mode='CP', basis='hadz', value=-0.6770)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='M052XD3', mode='CP', basis='hadz', value=-1.5078)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='M052XD3', mode='CP', basis='hadz', value=-1.6550)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='M052XD3', mode='CP', basis='hadz', value=-2.6750)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='M052XD3', mode='CP', basis='hadz', value=-4.0136)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='M052XD3', mode='CP', basis='hadz', value=-9.8908)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='M052XD3', mode='CP', basis='hadz', value=-4.3228)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='M052XD3', mode='CP', basis='hadz', value=-11.6637)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='M052XD3', mode='CP', basis='hadz', value=-1.5890)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='M052XD3', mode='CP', basis='hadz', value=-3.8973)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='M052XD3', mode='CP', basis='hadz', value=-2.7013)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='M052XD3', mode='CP', basis='hadz', value=-5.0786)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='M052XD3', mode='CP', basis='hadz', value=-2.8650)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='M052XD3', mode='CP', basis='hadz', value=-5.8005)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='M052XD3', mode='CP', basis='hadz', value=-6.8026)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='M052XD3', mode='unCP', basis='hatz', value=-3.2889)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='M052XD3', mode='unCP', basis='hatz', value=-5.2901)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='M052XD3', mode='unCP', basis='hatz', value=-19.9628)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='M052XD3', mode='unCP', basis='hatz', value=-16.4330)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='M052XD3', mode='unCP', basis='hatz', value=-20.7891)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='M052XD3', mode='unCP', basis='hatz', value=-16.5328)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='M052XD3', mode='unCP', basis='hatz', value=-16.1314)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='M052XD3', mode='unCP', basis='hatz', value=-0.6954)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='M052XD3', mode='unCP', basis='hatz', value=-1.6086)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='M052XD3', mode='unCP', basis='hatz', value=-1.6692)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='M052XD3', mode='unCP', basis='hatz', value=-2.6604)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='M052XD3', mode='unCP', basis='hatz', value=-4.1007)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='M052XD3', mode='unCP', basis='hatz', value=-10.3706)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='M052XD3', mode='unCP', basis='hatz', value=-4.3529)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='M052XD3', mode='unCP', basis='hatz', value=-12.0078)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='M052XD3', mode='unCP', basis='hatz', value=-1.6870)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='M052XD3', mode='unCP', basis='hatz', value=-4.0697)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='M052XD3', mode='unCP', basis='hatz', value=-2.7801)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='M052XD3', mode='unCP', basis='hatz', value=-5.3525)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='M052XD3', mode='unCP', basis='hatz', value=-2.9569)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='M052XD3', mode='unCP', basis='hatz', value=-6.1141)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='M052XD3', mode='unCP', basis='hatz', value=-7.2424)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='M052XD3', mode='CP', basis='hatz', value=-3.2430)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='M052XD3', mode='CP', basis='hatz', value=-5.2219)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='M052XD3', mode='CP', basis='hatz', value=-19.7643)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='M052XD3', mode='CP', basis='hatz', value=-16.2680)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='M052XD3', mode='CP', basis='hatz', value=-20.5106)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='M052XD3', mode='CP', basis='hatz', value=-16.2754)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='M052XD3', mode='CP', basis='hatz', value=-15.8252)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='M052XD3', mode='CP', basis='hatz', value=-0.6691)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='M052XD3', mode='CP', basis='hatz', value=-1.5779)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='M052XD3', mode='CP', basis='hatz', value=-1.5675)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='M052XD3', mode='CP', basis='hatz', value=-2.3849)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='M052XD3', mode='CP', basis='hatz', value=-3.8048)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='M052XD3', mode='CP', basis='hatz', value=-9.8783)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='M052XD3', mode='CP', basis='hatz', value=-3.9559)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='M052XD3', mode='CP', basis='hatz', value=-11.4025)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='M052XD3', mode='CP', basis='hatz', value=-1.6067)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='M052XD3', mode='CP', basis='hatz', value=-3.9213)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='M052XD3', mode='CP', basis='hatz', value=-2.6755)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='M052XD3', mode='CP', basis='hatz', value=-5.1703)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='M052XD3', mode='CP', basis='hatz', value=-2.7663)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='M052XD3', mode='CP', basis='hatz', value=-5.8402)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='M052XD3', mode='CP', basis='hatz', value=-6.9670)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='M062XD3', mode='unCP', basis='adz', value=-3.5028)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='M062XD3', mode='unCP', basis='adz', value=-5.2250)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='M062XD3', mode='unCP', basis='adz', value=-19.4771)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='M062XD3', mode='unCP', basis='adz', value=-16.3410)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='M062XD3', mode='unCP', basis='adz', value=-20.6493)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='M062XD3', mode='unCP', basis='adz', value=-17.0438)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='M062XD3', mode='unCP', basis='adz', value=-16.5791)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='M062XD3', mode='unCP', basis='adz', value=-0.9260)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='M062XD3', mode='unCP', basis='adz', value=-2.0818)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='M062XD3', mode='unCP', basis='adz', value=-2.0623)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='M062XD3', mode='unCP', basis='adz', value=-4.4267)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='M062XD3', mode='unCP', basis='adz', value=-5.6501)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='M062XD3', mode='unCP', basis='adz', value=-11.7153)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='M062XD3', mode='unCP', basis='adz', value=-6.9299)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='M062XD3', mode='unCP', basis='adz', value=-15.0134)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='M062XD3', mode='unCP', basis='adz', value=-1.7997)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='M062XD3', mode='unCP', basis='adz', value=-3.9991)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='M062XD3', mode='unCP', basis='adz', value=-2.9293)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='M062XD3', mode='unCP', basis='adz', value=-5.4534)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='M062XD3', mode='unCP', basis='adz', value=-3.7276)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='M062XD3', mode='unCP', basis='adz', value=-6.8754)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='M062XD3', mode='unCP', basis='adz', value=-7.8457)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='M062XD3', mode='CP', basis='adz', value=-3.2035)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='M062XD3', mode='CP', basis='adz', value=-5.0113)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='M062XD3', mode='CP', basis='adz', value=-18.8140)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='M062XD3', mode='CP', basis='adz', value=-15.6030)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='M062XD3', mode='CP', basis='adz', value=-19.6262)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='M062XD3', mode='CP', basis='adz', value=-15.9533)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='M062XD3', mode='CP', basis='adz', value=-15.4745)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='M062XD3', mode='CP', basis='adz', value=-0.5960)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='M062XD3', mode='CP', basis='adz', value=-1.6788)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='M062XD3', mode='CP', basis='adz', value=-1.5564)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='M062XD3', mode='CP', basis='adz', value=-3.3547)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='M062XD3', mode='CP', basis='adz', value=-4.6461)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='M062XD3', mode='CP', basis='adz', value=-10.4879)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='M062XD3', mode='CP', basis='adz', value=-5.4545)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='M062XD3', mode='CP', basis='adz', value=-13.1880)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='M062XD3', mode='CP', basis='adz', value=-1.3575)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='M062XD3', mode='CP', basis='adz', value=-3.5934)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='M062XD3', mode='CP', basis='adz', value=-2.4333)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='M062XD3', mode='CP', basis='adz', value=-4.7985)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='M062XD3', mode='CP', basis='adz', value=-2.7910)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='M062XD3', mode='CP', basis='adz', value=-5.6325)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='M062XD3', mode='CP', basis='adz', value=-7.0211)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='M062XD3', mode='unCP', basis='atz', value=-3.2089)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='M062XD3', mode='unCP', basis='atz', value=-5.1757)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='M062XD3', mode='unCP', basis='atz', value=-19.5877)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='M062XD3', mode='unCP', basis='atz', value=-16.1308)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='M062XD3', mode='unCP', basis='atz', value=-20.4558)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='M062XD3', mode='unCP', basis='atz', value=-16.4121)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='M062XD3', mode='unCP', basis='atz', value=-16.0332)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='M062XD3', mode='unCP', basis='atz', value=-0.4860)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='M062XD3', mode='unCP', basis='atz', value=-1.6754)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='M062XD3', mode='unCP', basis='atz', value=-1.6727)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='M062XD3', mode='unCP', basis='atz', value=-3.1403)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='M062XD3', mode='unCP', basis='atz', value=-4.5939)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='M062XD3', mode='unCP', basis='atz', value=-10.8555)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='M062XD3', mode='unCP', basis='atz', value=-5.3042)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='M062XD3', mode='unCP', basis='atz', value=-13.4773)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='M062XD3', mode='unCP', basis='atz', value=-1.4901)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='M062XD3', mode='unCP', basis='atz', value=-3.8808)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='M062XD3', mode='unCP', basis='atz', value=-2.6500)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='M062XD3', mode='unCP', basis='atz', value=-5.1552)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='M062XD3', mode='unCP', basis='atz', value=-2.8884)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='M062XD3', mode='unCP', basis='atz', value=-5.8781)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='M062XD3', mode='unCP', basis='atz', value=-7.3941)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='M062XD3', mode='CP', basis='atz', value=-3.1816)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='M062XD3', mode='CP', basis='atz', value=-5.0948)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='M062XD3', mode='CP', basis='atz', value=-19.3063)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='M062XD3', mode='CP', basis='atz', value=-15.8994)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='M062XD3', mode='CP', basis='atz', value=-20.0721)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='M062XD3', mode='CP', basis='atz', value=-16.0982)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='M062XD3', mode='CP', basis='atz', value=-15.6405)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='M062XD3', mode='CP', basis='atz', value=-0.4645)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='M062XD3', mode='CP', basis='atz', value=-1.5983)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='M062XD3', mode='CP', basis='atz', value=-1.5198)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='M062XD3', mode='CP', basis='atz', value=-2.8345)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='M062XD3', mode='CP', basis='atz', value=-4.3019)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='M062XD3', mode='CP', basis='atz', value=-10.3677)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='M062XD3', mode='CP', basis='atz', value=-4.8735)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='M062XD3', mode='CP', basis='atz', value=-12.8897)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='M062XD3', mode='CP', basis='atz', value=-1.3806)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='M062XD3', mode='CP', basis='atz', value=-3.7096)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='M062XD3', mode='CP', basis='atz', value=-2.4915)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='M062XD3', mode='CP', basis='atz', value=-4.9230)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='M062XD3', mode='CP', basis='atz', value=-2.6291)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='M062XD3', mode='CP', basis='atz', value=-5.5263)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='M062XD3', mode='CP', basis='atz', value=-7.0646)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='M062XD3', mode='unCP', basis='dz', value=-5.4857)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='M062XD3', mode='unCP', basis='dz', value=-7.8737)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='M062XD3', mode='unCP', basis='dz', value=-23.3652)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='M062XD3', mode='unCP', basis='dz', value=-19.5571)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='M062XD3', mode='unCP', basis='dz', value=-22.7194)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='M062XD3', mode='unCP', basis='dz', value=-19.4185)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='M062XD3', mode='unCP', basis='dz', value=-19.3729)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='M062XD3', mode='unCP', basis='dz', value=-0.5380)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='M062XD3', mode='unCP', basis='dz', value=-1.8129)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='M062XD3', mode='unCP', basis='dz', value=-1.7603)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='M062XD3', mode='unCP', basis='dz', value=-3.7678)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='M062XD3', mode='unCP', basis='dz', value=-5.5036)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='M062XD3', mode='unCP', basis='dz', value=-12.6490)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='M062XD3', mode='unCP', basis='dz', value=-6.2449)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='M062XD3', mode='unCP', basis='dz', value=-15.9988)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='M062XD3', mode='unCP', basis='dz', value=-1.7581)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='M062XD3', mode='unCP', basis='dz', value=-4.1595)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='M062XD3', mode='unCP', basis='dz', value=-2.7307)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='M062XD3', mode='unCP', basis='dz', value=-5.1880)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='M062XD3', mode='unCP', basis='dz', value=-3.2061)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='M062XD3', mode='unCP', basis='dz', value=-6.3580)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='M062XD3', mode='unCP', basis='dz', value=-9.6297)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='M062XD3', mode='CP', basis='dz', value=-3.0277)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='M062XD3', mode='CP', basis='dz', value=-5.0355)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='M062XD3', mode='CP', basis='dz', value=-18.4650)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='M062XD3', mode='CP', basis='dz', value=-14.9453)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='M062XD3', mode='CP', basis='dz', value=-19.1659)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='M062XD3', mode='CP', basis='dz', value=-15.8230)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='M062XD3', mode='CP', basis='dz', value=-15.2070)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='M062XD3', mode='CP', basis='dz', value=-0.4128)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='M062XD3', mode='CP', basis='dz', value=-1.2555)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='M062XD3', mode='CP', basis='dz', value=-1.3994)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='M062XD3', mode='CP', basis='dz', value=-2.7178)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='M062XD3', mode='CP', basis='dz', value=-4.0051)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='M062XD3', mode='CP', basis='dz', value=-9.4897)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='M062XD3', mode='CP', basis='dz', value=-4.6235)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='M062XD3', mode='CP', basis='dz', value=-11.8820)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='M062XD3', mode='CP', basis='dz', value=-1.4571)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='M062XD3', mode='CP', basis='dz', value=-3.1524)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='M062XD3', mode='CP', basis='dz', value=-2.1597)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='M062XD3', mode='CP', basis='dz', value=-4.7183)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='M062XD3', mode='CP', basis='dz', value=-2.6034)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='M062XD3', mode='CP', basis='dz', value=-5.3866)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='M062XD3', mode='CP', basis='dz', value=-6.8476)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='M062XD3', mode='unCP', basis='tz', value=-4.1992)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='M062XD3', mode='unCP', basis='tz', value=-6.2464)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='M062XD3', mode='unCP', basis='tz', value=-20.5257)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='M062XD3', mode='unCP', basis='tz', value=-16.9600)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='M062XD3', mode='unCP', basis='tz', value=-20.7546)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='M062XD3', mode='unCP', basis='tz', value=-17.0529)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='M062XD3', mode='unCP', basis='tz', value=-16.6819)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='M062XD3', mode='unCP', basis='tz', value=-0.4816)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='M062XD3', mode='unCP', basis='tz', value=-1.6609)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='M062XD3', mode='unCP', basis='tz', value=-1.6167)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='M062XD3', mode='unCP', basis='tz', value=-3.0631)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='M062XD3', mode='unCP', basis='tz', value=-4.7106)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='M062XD3', mode='unCP', basis='tz', value=-11.3704)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='M062XD3', mode='unCP', basis='tz', value=-5.3146)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='M062XD3', mode='unCP', basis='tz', value=-14.2264)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='M062XD3', mode='unCP', basis='tz', value=-1.4832)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='M062XD3', mode='unCP', basis='tz', value=-4.3038)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='M062XD3', mode='unCP', basis='tz', value=-2.7694)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='M062XD3', mode='unCP', basis='tz', value=-5.0146)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='M062XD3', mode='unCP', basis='tz', value=-2.8009)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='M062XD3', mode='unCP', basis='tz', value=-5.9409)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='M062XD3', mode='unCP', basis='tz', value=-7.9414)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='M062XD3', mode='CP', basis='tz', value=-3.2606)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='M062XD3', mode='CP', basis='tz', value=-5.0762)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='M062XD3', mode='CP', basis='tz', value=-19.2724)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='M062XD3', mode='CP', basis='tz', value=-15.7620)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='M062XD3', mode='CP', basis='tz', value=-19.8594)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='M062XD3', mode='CP', basis='tz', value=-15.9979)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='M062XD3', mode='CP', basis='tz', value=-15.5353)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='M062XD3', mode='CP', basis='tz', value=-0.4561)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='M062XD3', mode='CP', basis='tz', value=-1.5042)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='M062XD3', mode='CP', basis='tz', value=-1.5145)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='M062XD3', mode='CP', basis='tz', value=-2.6791)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='M062XD3', mode='CP', basis='tz', value=-4.1358)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='M062XD3', mode='CP', basis='tz', value=-10.1658)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='M062XD3', mode='CP', basis='tz', value=-4.6425)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='M062XD3', mode='CP', basis='tz', value=-12.6193)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='M062XD3', mode='CP', basis='tz', value=-1.3798)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='M062XD3', mode='CP', basis='tz', value=-3.5093)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='M062XD3', mode='CP', basis='tz', value=-2.3650)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='M062XD3', mode='CP', basis='tz', value=-4.8905)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='M062XD3', mode='CP', basis='tz', value=-2.6040)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='M062XD3', mode='CP', basis='tz', value=-5.4780)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='M062XD3', mode='CP', basis='tz', value=-6.9564)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='M062XD3', mode='unCP', basis='hadz', value=-3.2646)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='M062XD3', mode='unCP', basis='hadz', value=-5.3822)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='M062XD3', mode='unCP', basis='hadz', value=-19.3024)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='M062XD3', mode='unCP', basis='hadz', value=-16.1224)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='M062XD3', mode='unCP', basis='hadz', value=-20.3258)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='M062XD3', mode='unCP', basis='hadz', value=-16.6378)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='M062XD3', mode='unCP', basis='hadz', value=-16.2140)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='M062XD3', mode='unCP', basis='hadz', value=-0.6714)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='M062XD3', mode='unCP', basis='hadz', value=-1.7239)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='M062XD3', mode='unCP', basis='hadz', value=-1.8761)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='M062XD3', mode='unCP', basis='hadz', value=-4.0675)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='M062XD3', mode='unCP', basis='hadz', value=-5.4176)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='M062XD3', mode='unCP', basis='hadz', value=-11.6420)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='M062XD3', mode='unCP', basis='hadz', value=-6.5965)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='M062XD3', mode='unCP', basis='hadz', value=-14.7931)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='M062XD3', mode='unCP', basis='hadz', value=-1.5969)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='M062XD3', mode='unCP', basis='hadz', value=-4.0156)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='M062XD3', mode='unCP', basis='hadz', value=-2.7708)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='M062XD3', mode='unCP', basis='hadz', value=-5.2552)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='M062XD3', mode='unCP', basis='hadz', value=-3.4204)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='M062XD3', mode='unCP', basis='hadz', value=-6.4007)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='M062XD3', mode='unCP', basis='hadz', value=-7.6148)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='M062XD3', mode='CP', basis='hadz', value=-3.1013)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='M062XD3', mode='CP', basis='hadz', value=-5.0640)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='M062XD3', mode='CP', basis='hadz', value=-18.7544)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='M062XD3', mode='CP', basis='hadz', value=-15.5445)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='M062XD3', mode='CP', basis='hadz', value=-19.5938)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='M062XD3', mode='CP', basis='hadz', value=-15.9262)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='M062XD3', mode='CP', basis='hadz', value=-15.4421)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='M062XD3', mode='CP', basis='hadz', value=-0.4865)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='M062XD3', mode='CP', basis='hadz', value=-1.4499)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='M062XD3', mode='CP', basis='hadz', value=-1.6414)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='M062XD3', mode='CP', basis='hadz', value=-3.2964)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='M062XD3', mode='CP', basis='hadz', value=-4.6390)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='M062XD3', mode='CP', basis='hadz', value=-10.4709)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='M062XD3', mode='CP', basis='hadz', value=-5.3921)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='M062XD3', mode='CP', basis='hadz', value=-13.1773)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='M062XD3', mode='CP', basis='hadz', value=-1.3806)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='M062XD3', mode='CP', basis='hadz', value=-3.6462)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='M062XD3', mode='CP', basis='hadz', value=-2.5412)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='M062XD3', mode='CP', basis='hadz', value=-4.8814)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='M062XD3', mode='CP', basis='hadz', value=-2.8499)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='M062XD3', mode='CP', basis='hadz', value=-5.6690)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='M062XD3', mode='CP', basis='hadz', value=-6.9630)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='M062XD3', mode='unCP', basis='hatz', value=-3.2182)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='M062XD3', mode='unCP', basis='hatz', value=-5.1758)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='M062XD3', mode='unCP', basis='hatz', value=-19.4786)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='M062XD3', mode='unCP', basis='hatz', value=-16.0413)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='M062XD3', mode='unCP', basis='hatz', value=-20.3153)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='M062XD3', mode='unCP', basis='hatz', value=-16.3205)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='M062XD3', mode='unCP', basis='hatz', value=-15.9084)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='M062XD3', mode='unCP', basis='hatz', value=-0.4824)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='M062XD3', mode='unCP', basis='hatz', value=-1.5829)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='M062XD3', mode='unCP', basis='hatz', value=-1.6056)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='M062XD3', mode='unCP', basis='hatz', value=-3.1284)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='M062XD3', mode='unCP', basis='hatz', value=-4.5944)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='M062XD3', mode='unCP', basis='hatz', value=-10.8405)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='M062XD3', mode='unCP', basis='hatz', value=-5.3016)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='M062XD3', mode='unCP', basis='hatz', value=-13.4858)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='M062XD3', mode='unCP', basis='hatz', value=-1.4488)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='M062XD3', mode='unCP', basis='hatz', value=-3.8606)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='M062XD3', mode='unCP', basis='hatz', value=-2.5961)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='M062XD3', mode='unCP', basis='hatz', value=-5.0563)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='M062XD3', mode='unCP', basis='hatz', value=-2.8208)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='M062XD3', mode='unCP', basis='hatz', value=-5.8254)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='M062XD3', mode='unCP', basis='hatz', value=-7.3372)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='M062XD3', mode='CP', basis='hatz', value=-3.1771)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='M062XD3', mode='CP', basis='hatz', value=-5.1086)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='M062XD3', mode='CP', basis='hatz', value=-19.2989)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='M062XD3', mode='CP', basis='hatz', value=-15.8886)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='M062XD3', mode='CP', basis='hatz', value=-20.0524)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='M062XD3', mode='CP', basis='hatz', value=-16.0712)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='M062XD3', mode='CP', basis='hatz', value=-15.6219)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='M062XD3', mode='CP', basis='hatz', value=-0.4594)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='M062XD3', mode='CP', basis='hatz', value=-1.5461)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='M062XD3', mode='CP', basis='hatz', value=-1.5056)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='M062XD3', mode='CP', basis='hatz', value=-2.8410)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='M062XD3', mode='CP', basis='hatz', value=-4.3025)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='M062XD3', mode='CP', basis='hatz', value=-10.3784)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='M062XD3', mode='CP', basis='hatz', value=-4.8810)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='M062XD3', mode='CP', basis='hatz', value=-12.9014)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='M062XD3', mode='CP', basis='hatz', value=-1.3688)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='M062XD3', mode='CP', basis='hatz', value=-3.7088)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='M062XD3', mode='CP', basis='hatz', value=-2.4929)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='M062XD3', mode='CP', basis='hatz', value=-4.8873)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='M062XD3', mode='CP', basis='hatz', value=-2.6271)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='M062XD3', mode='CP', basis='hatz', value=-5.5336)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='M062XD3', mode='CP', basis='hatz', value=-7.0761)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='PBED2', mode='unCP', basis='adz', value=-4.0582)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='PBED2', mode='unCP', basis='adz', value=-5.7016)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='PBED2', mode='unCP', basis='adz', value=-20.4654)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='PBED2', mode='unCP', basis='adz', value=-17.3537)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='PBED2', mode='unCP', basis='adz', value=-21.9155)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='PBED2', mode='unCP', basis='adz', value=-19.3286)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='PBED2', mode='unCP', basis='adz', value=-18.5901)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='PBED2', mode='unCP', basis='adz', value=-1.0249)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='PBED2', mode='unCP', basis='adz', value=-2.3162)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='PBED2', mode='unCP', basis='adz', value=-2.0825)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='PBED2', mode='unCP', basis='adz', value=-3.4141)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='PBED2', mode='unCP', basis='adz', value=-4.9288)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='PBED2', mode='unCP', basis='adz', value=-10.6755)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='PBED2', mode='unCP', basis='adz', value=-5.6157)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='PBED2', mode='unCP', basis='adz', value=-13.1607)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='PBED2', mode='unCP', basis='adz', value=-2.2760)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='PBED2', mode='unCP', basis='adz', value=-4.1377)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='PBED2', mode='unCP', basis='adz', value=-3.0406)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='PBED2', mode='unCP', basis='adz', value=-5.6374)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='PBED2', mode='unCP', basis='adz', value=-3.6736)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='PBED2', mode='unCP', basis='adz', value=-7.0608)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='PBED2', mode='unCP', basis='adz', value=-7.6490)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='PBED2', mode='CP', basis='adz', value=-3.7781)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='PBED2', mode='CP', basis='adz', value=-5.4682)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='PBED2', mode='CP', basis='adz', value=-19.7921)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='PBED2', mode='CP', basis='adz', value=-16.6260)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='PBED2', mode='CP', basis='adz', value=-20.8866)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='PBED2', mode='CP', basis='adz', value=-18.2602)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='PBED2', mode='CP', basis='adz', value=-17.4598)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='PBED2', mode='CP', basis='adz', value=-0.7223)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='PBED2', mode='CP', basis='adz', value=-1.9375)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='PBED2', mode='CP', basis='adz', value=-1.6384)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='PBED2', mode='CP', basis='adz', value=-2.4846)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='PBED2', mode='CP', basis='adz', value=-3.9814)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='PBED2', mode='CP', basis='adz', value=-9.4380)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='PBED2', mode='CP', basis='adz', value=-4.3057)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='PBED2', mode='CP', basis='adz', value=-11.3655)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='PBED2', mode='CP', basis='adz', value=-1.8828)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='PBED2', mode='CP', basis='adz', value=-3.7265)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='PBED2', mode='CP', basis='adz', value=-2.5838)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='PBED2', mode='CP', basis='adz', value=-4.9975)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='PBED2', mode='CP', basis='adz', value=-2.7979)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='PBED2', mode='CP', basis='adz', value=-5.8760)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='PBED2', mode='CP', basis='adz', value=-6.8861)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='PBED2', mode='unCP', basis='atz', value=-3.8698)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='PBED2', mode='unCP', basis='atz', value=-5.5415)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='PBED2', mode='unCP', basis='atz', value=-20.2871)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='PBED2', mode='unCP', basis='atz', value=-16.8951)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='PBED2', mode='unCP', basis='atz', value=-21.3432)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='PBED2', mode='unCP', basis='atz', value=-18.5971)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='PBED2', mode='unCP', basis='atz', value=-17.8723)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='PBED2', mode='unCP', basis='atz', value=-0.7419)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='PBED2', mode='unCP', basis='atz', value=-1.9902)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='PBED2', mode='unCP', basis='atz', value=-1.7588)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='PBED2', mode='unCP', basis='atz', value=-2.5982)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='PBED2', mode='unCP', basis='atz', value=-4.1691)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='PBED2', mode='unCP', basis='atz', value=-9.8825)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='PBED2', mode='unCP', basis='atz', value=-4.4898)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='PBED2', mode='unCP', basis='atz', value=-11.8209)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='PBED2', mode='unCP', basis='atz', value=-2.0003)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='PBED2', mode='unCP', basis='atz', value=-3.8662)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='PBED2', mode='unCP', basis='atz', value=-2.7183)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='PBED2', mode='unCP', basis='atz', value=-5.3073)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='PBED2', mode='unCP', basis='atz', value=-3.0167)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='PBED2', mode='unCP', basis='atz', value=-6.2823)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='PBED2', mode='unCP', basis='atz', value=-7.1438)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='PBED2', mode='CP', basis='atz', value=-3.8466)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='PBED2', mode='CP', basis='atz', value=-5.4868)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='PBED2', mode='CP', basis='atz', value=-20.0279)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='PBED2', mode='CP', basis='atz', value=-16.6910)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='PBED2', mode='CP', basis='atz', value=-20.9892)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='PBED2', mode='CP', basis='atz', value=-18.3003)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='PBED2', mode='CP', basis='atz', value=-17.5036)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='PBED2', mode='CP', basis='atz', value=-0.7217)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='PBED2', mode='CP', basis='atz', value=-1.9220)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='PBED2', mode='CP', basis='atz', value=-1.6742)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='PBED2', mode='CP', basis='atz', value=-2.4341)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='PBED2', mode='CP', basis='atz', value=-3.9685)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='PBED2', mode='CP', basis='atz', value=-9.5042)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='PBED2', mode='CP', basis='atz', value=-4.2187)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='PBED2', mode='CP', basis='atz', value=-11.3334)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='PBED2', mode='CP', basis='atz', value=-1.9237)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='PBED2', mode='CP', basis='atz', value=-3.7650)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='PBED2', mode='CP', basis='atz', value=-2.6321)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='PBED2', mode='CP', basis='atz', value=-5.1575)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='PBED2', mode='CP', basis='atz', value=-2.8539)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='PBED2', mode='CP', basis='atz', value=-6.0243)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='PBED2', mode='CP', basis='atz', value=-6.9160)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='PBED2', mode='unCP', basis='dz', value=-6.8501)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='PBED2', mode='unCP', basis='dz', value=-9.3177)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='PBED2', mode='unCP', basis='dz', value=-26.0444)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='PBED2', mode='unCP', basis='dz', value=-21.9670)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='PBED2', mode='unCP', basis='dz', value=-25.0378)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='PBED2', mode='unCP', basis='dz', value=-22.8411)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='PBED2', mode='unCP', basis='dz', value=-22.6353)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='PBED2', mode='unCP', basis='dz', value=-0.9001)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='PBED2', mode='unCP', basis='dz', value=-2.5456)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='PBED2', mode='unCP', basis='dz', value=-2.0259)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='PBED2', mode='unCP', basis='dz', value=-3.4376)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='PBED2', mode='unCP', basis='dz', value=-5.3488)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='PBED2', mode='unCP', basis='dz', value=-12.3443)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='PBED2', mode='unCP', basis='dz', value=-5.7911)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='PBED2', mode='unCP', basis='dz', value=-15.1955)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='PBED2', mode='unCP', basis='dz', value=-2.4229)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='PBED2', mode='unCP', basis='dz', value=-4.8119)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='PBED2', mode='unCP', basis='dz', value=-3.1835)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='PBED2', mode='unCP', basis='dz', value=-5.6279)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='PBED2', mode='unCP', basis='dz', value=-3.5767)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='PBED2', mode='unCP', basis='dz', value=-7.2435)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='PBED2', mode='unCP', basis='dz', value=-10.3731)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='PBED2', mode='CP', basis='dz', value=-3.7363)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='PBED2', mode='CP', basis='dz', value=-5.5403)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='PBED2', mode='CP', basis='dz', value=-19.8803)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='PBED2', mode='CP', basis='dz', value=-16.3035)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='PBED2', mode='CP', basis='dz', value=-20.5459)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='PBED2', mode='CP', basis='dz', value=-18.3816)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='PBED2', mode='CP', basis='dz', value=-17.3423)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='PBED2', mode='CP', basis='dz', value=-0.6891)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='PBED2', mode='CP', basis='dz', value=-1.8457)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='PBED2', mode='CP', basis='dz', value=-1.5697)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='PBED2', mode='CP', basis='dz', value=-2.2197)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='PBED2', mode='CP', basis='dz', value=-3.6246)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='PBED2', mode='CP', basis='dz', value=-8.8220)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='PBED2', mode='CP', basis='dz', value=-3.9135)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='PBED2', mode='CP', basis='dz', value=-10.6041)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='PBED2', mode='CP', basis='dz', value=-2.0352)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='PBED2', mode='CP', basis='dz', value=-3.5278)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='PBED2', mode='CP', basis='dz', value=-2.4713)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='PBED2', mode='CP', basis='dz', value=-5.0252)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='PBED2', mode='CP', basis='dz', value=-2.8386)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='PBED2', mode='CP', basis='dz', value=-6.0755)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='PBED2', mode='CP', basis='dz', value=-6.9451)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='PBED2', mode='unCP', basis='tz', value=-5.3118)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='PBED2', mode='unCP', basis='tz', value=-7.2352)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='PBED2', mode='unCP', basis='tz', value=-21.9251)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='PBED2', mode='unCP', basis='tz', value=-18.3582)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='PBED2', mode='unCP', basis='tz', value=-22.1233)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='PBED2', mode='unCP', basis='tz', value=-19.7667)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='PBED2', mode='unCP', basis='tz', value=-19.0701)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='PBED2', mode='unCP', basis='tz', value=-0.7449)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='PBED2', mode='unCP', basis='tz', value=-2.1222)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='PBED2', mode='unCP', basis='tz', value=-1.8031)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='PBED2', mode='unCP', basis='tz', value=-2.8087)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='PBED2', mode='unCP', basis='tz', value=-4.5111)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='PBED2', mode='unCP', basis='tz', value=-10.7864)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='PBED2', mode='unCP', basis='tz', value=-4.8566)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='PBED2', mode='unCP', basis='tz', value=-12.9678)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='PBED2', mode='unCP', basis='tz', value=-2.1049)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='PBED2', mode='unCP', basis='tz', value=-4.8397)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='PBED2', mode='unCP', basis='tz', value=-3.1444)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='PBED2', mode='unCP', basis='tz', value=-5.3969)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='PBED2', mode='unCP', basis='tz', value=-3.1233)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='PBED2', mode='unCP', basis='tz', value=-6.6630)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='PBED2', mode='unCP', basis='tz', value=-8.1944)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='PBED2', mode='CP', basis='tz', value=-3.9734)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='PBED2', mode='CP', basis='tz', value=-5.4907)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='PBED2', mode='CP', basis='tz', value=-20.1827)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='PBED2', mode='CP', basis='tz', value=-16.7343)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='PBED2', mode='CP', basis='tz', value=-20.8806)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='PBED2', mode='CP', basis='tz', value=-18.3444)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='PBED2', mode='CP', basis='tz', value=-17.4603)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='PBED2', mode='CP', basis='tz', value=-0.7115)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='PBED2', mode='CP', basis='tz', value=-1.9349)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='PBED2', mode='CP', basis='tz', value=-1.6843)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='PBED2', mode='CP', basis='tz', value=-2.3425)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='PBED2', mode='CP', basis='tz', value=-3.8395)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='PBED2', mode='CP', basis='tz', value=-9.3851)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='PBED2', mode='CP', basis='tz', value=-4.0641)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='PBED2', mode='CP', basis='tz', value=-11.1118)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='PBED2', mode='CP', basis='tz', value=-1.9577)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='PBED2', mode='CP', basis='tz', value=-3.6787)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='PBED2', mode='CP', basis='tz', value=-2.5742)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='PBED2', mode='CP', basis='tz', value=-5.2455)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='PBED2', mode='CP', basis='tz', value=-2.8742)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='PBED2', mode='CP', basis='tz', value=-6.1171)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='PBED2', mode='CP', basis='tz', value=-6.9057)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='PBED2', mode='unCP', basis='hadz', value=-3.9338)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='PBED2', mode='unCP', basis='hadz', value=-6.0080)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='PBED2', mode='unCP', basis='hadz', value=-20.3511)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='PBED2', mode='unCP', basis='hadz', value=-17.1694)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='PBED2', mode='unCP', basis='hadz', value=-21.5971)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='PBED2', mode='unCP', basis='hadz', value=-18.9385)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='PBED2', mode='unCP', basis='hadz', value=-18.2294)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='PBED2', mode='unCP', basis='hadz', value=-0.8786)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='PBED2', mode='unCP', basis='hadz', value=-2.1009)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='PBED2', mode='unCP', basis='hadz', value=-1.9172)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='PBED2', mode='unCP', basis='hadz', value=-3.2173)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='PBED2', mode='unCP', basis='hadz', value=-4.7548)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='PBED2', mode='unCP', basis='hadz', value=-10.6302)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='PBED2', mode='unCP', basis='hadz', value=-5.4678)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='PBED2', mode='unCP', basis='hadz', value=-13.0275)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='PBED2', mode='unCP', basis='hadz', value=-2.0807)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='PBED2', mode='unCP', basis='hadz', value=-4.2734)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='PBED2', mode='unCP', basis='hadz', value=-2.9167)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='PBED2', mode='unCP', basis='hadz', value=-5.4119)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='PBED2', mode='unCP', basis='hadz', value=-3.3802)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='PBED2', mode='unCP', basis='hadz', value=-6.6083)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='PBED2', mode='unCP', basis='hadz', value=-7.5139)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='PBED2', mode='CP', basis='hadz', value=-3.7544)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='PBED2', mode='CP', basis='hadz', value=-5.5942)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='PBED2', mode='CP', basis='hadz', value=-19.7489)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='PBED2', mode='CP', basis='hadz', value=-16.5895)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='PBED2', mode='CP', basis='hadz', value=-20.8477)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='PBED2', mode='CP', basis='hadz', value=-18.2434)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='PBED2', mode='CP', basis='hadz', value=-17.4363)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='PBED2', mode='CP', basis='hadz', value=-0.7170)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='PBED2', mode='CP', basis='hadz', value=-1.8564)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='PBED2', mode='CP', basis='hadz', value=-1.6922)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='PBED2', mode='CP', basis='hadz', value=-2.5167)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='PBED2', mode='CP', basis='hadz', value=-3.9965)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='PBED2', mode='CP', basis='hadz', value=-9.4356)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='PBED2', mode='CP', basis='hadz', value=-4.3376)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='PBED2', mode='CP', basis='hadz', value=-11.4015)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='PBED2', mode='CP', basis='hadz', value=-1.8783)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='PBED2', mode='CP', basis='hadz', value=-3.8395)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='PBED2', mode='CP', basis='hadz', value=-2.6746)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='PBED2', mode='CP', basis='hadz', value=-5.0101)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='PBED2', mode='CP', basis='hadz', value=-2.8365)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='PBED2', mode='CP', basis='hadz', value=-5.8922)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='PBED2', mode='CP', basis='hadz', value=-6.8727)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='PBED2', mode='unCP', basis='hatz', value=-3.9075)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='PBED2', mode='unCP', basis='hatz', value=-5.5976)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='PBED2', mode='unCP', basis='hatz', value=-20.1942)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='PBED2', mode='unCP', basis='hatz', value=-16.8325)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='PBED2', mode='unCP', basis='hatz', value=-21.2202)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='PBED2', mode='unCP', basis='hatz', value=-18.5229)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='PBED2', mode='unCP', basis='hatz', value=-17.7651)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='PBED2', mode='unCP', basis='hatz', value=-0.7410)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='PBED2', mode='unCP', basis='hatz', value=-1.9566)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='PBED2', mode='unCP', basis='hatz', value=-1.7182)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='PBED2', mode='unCP', basis='hatz', value=-2.5651)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='PBED2', mode='unCP', basis='hatz', value=-4.1479)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='PBED2', mode='unCP', basis='hatz', value=-9.8483)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='PBED2', mode='unCP', basis='hatz', value=-4.4653)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='PBED2', mode='unCP', basis='hatz', value=-11.7970)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='PBED2', mode='unCP', basis='hatz', value=-1.9783)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='PBED2', mode='unCP', basis='hatz', value=-3.9060)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='PBED2', mode='unCP', basis='hatz', value=-2.6908)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='PBED2', mode='unCP', basis='hatz', value=-5.2351)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='PBED2', mode='unCP', basis='hatz', value=-2.9581)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='PBED2', mode='unCP', basis='hatz', value=-6.2057)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='PBED2', mode='unCP', basis='hatz', value=-7.0952)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='PBED2', mode='CP', basis='hatz', value=-3.8518)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='PBED2', mode='CP', basis='hatz', value=-5.5072)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='PBED2', mode='CP', basis='hatz', value=-20.0110)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='PBED2', mode='CP', basis='hatz', value=-16.6835)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='PBED2', mode='CP', basis='hatz', value=-20.9841)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='PBED2', mode='CP', basis='hatz', value=-18.2967)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='PBED2', mode='CP', basis='hatz', value=-17.4920)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='PBED2', mode='CP', basis='hatz', value=-0.7213)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='PBED2', mode='CP', basis='hatz', value=-1.9149)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='PBED2', mode='CP', basis='hatz', value=-1.6677)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='PBED2', mode='CP', basis='hatz', value=-2.4311)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='PBED2', mode='CP', basis='hatz', value=-3.9668)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='PBED2', mode='CP', basis='hatz', value=-9.5006)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='PBED2', mode='CP', basis='hatz', value=-4.2143)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='PBED2', mode='CP', basis='hatz', value=-11.3233)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='PBED2', mode='CP', basis='hatz', value=-1.9221)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='PBED2', mode='CP', basis='hatz', value=-3.7565)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='PBED2', mode='CP', basis='hatz', value=-2.6246)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='PBED2', mode='CP', basis='hatz', value=-5.1445)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='PBED2', mode='CP', basis='hatz', value=-2.8504)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='PBED2', mode='CP', basis='hatz', value=-6.0181)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='PBED2', mode='CP', basis='hatz', value=-6.9081)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='PBED3', mode='unCP', basis='adz', value=-3.5909)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='PBED3', mode='unCP', basis='adz', value=-5.5621)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='PBED3', mode='unCP', basis='adz', value=-19.9617)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='PBED3', mode='unCP', basis='adz', value=-16.9347)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='PBED3', mode='unCP', basis='adz', value=-21.5930)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='PBED3', mode='unCP', basis='adz', value=-18.9615)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='PBED3', mode='unCP', basis='adz', value=-18.2595)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='PBED3', mode='unCP', basis='adz', value=-1.1152)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='PBED3', mode='unCP', basis='adz', value=-2.0275)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='PBED3', mode='unCP', basis='adz', value=-1.9670)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='PBED3', mode='unCP', basis='adz', value=-3.3343)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='PBED3', mode='unCP', basis='adz', value=-4.4926)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='PBED3', mode='unCP', basis='adz', value=-10.1036)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='PBED3', mode='unCP', basis='adz', value=-5.0606)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='PBED3', mode='unCP', basis='adz', value=-11.5721)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='PBED3', mode='unCP', basis='adz', value=-2.2392)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='PBED3', mode='unCP', basis='adz', value=-3.9431)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='PBED3', mode='unCP', basis='adz', value=-2.9309)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='PBED3', mode='unCP', basis='adz', value=-4.9611)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='PBED3', mode='unCP', basis='adz', value=-3.4482)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='PBED3', mode='unCP', basis='adz', value=-6.4735)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='PBED3', mode='unCP', basis='adz', value=-7.4392)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='PBED3', mode='CP', basis='adz', value=-3.3108)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='PBED3', mode='CP', basis='adz', value=-5.3286)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='PBED3', mode='CP', basis='adz', value=-19.2884)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='PBED3', mode='CP', basis='adz', value=-16.2070)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='PBED3', mode='CP', basis='adz', value=-20.5641)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='PBED3', mode='CP', basis='adz', value=-17.8931)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='PBED3', mode='CP', basis='adz', value=-17.1292)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='PBED3', mode='CP', basis='adz', value=-0.8126)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='PBED3', mode='CP', basis='adz', value=-1.6488)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='PBED3', mode='CP', basis='adz', value=-1.5229)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='PBED3', mode='CP', basis='adz', value=-2.4048)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='PBED3', mode='CP', basis='adz', value=-3.5452)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='PBED3', mode='CP', basis='adz', value=-8.8662)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='PBED3', mode='CP', basis='adz', value=-3.7505)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='PBED3', mode='CP', basis='adz', value=-9.7769)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='PBED3', mode='CP', basis='adz', value=-1.8459)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='PBED3', mode='CP', basis='adz', value=-3.5319)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='PBED3', mode='CP', basis='adz', value=-2.4741)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='PBED3', mode='CP', basis='adz', value=-4.3212)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='PBED3', mode='CP', basis='adz', value=-2.5725)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='PBED3', mode='CP', basis='adz', value=-5.2887)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='PBED3', mode='CP', basis='adz', value=-6.6763)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='PBED3', mode='unCP', basis='atz', value=-3.4025)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='PBED3', mode='unCP', basis='atz', value=-5.4019)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='PBED3', mode='unCP', basis='atz', value=-19.7834)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='PBED3', mode='unCP', basis='atz', value=-16.4761)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='PBED3', mode='unCP', basis='atz', value=-21.0207)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='PBED3', mode='unCP', basis='atz', value=-18.2300)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='PBED3', mode='unCP', basis='atz', value=-17.5417)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='PBED3', mode='unCP', basis='atz', value=-0.8322)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='PBED3', mode='unCP', basis='atz', value=-1.7015)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='PBED3', mode='unCP', basis='atz', value=-1.6434)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='PBED3', mode='unCP', basis='atz', value=-2.5184)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='PBED3', mode='unCP', basis='atz', value=-3.7329)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='PBED3', mode='unCP', basis='atz', value=-9.3106)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='PBED3', mode='unCP', basis='atz', value=-3.9347)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='PBED3', mode='unCP', basis='atz', value=-10.2322)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='PBED3', mode='unCP', basis='atz', value=-1.9634)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='PBED3', mode='unCP', basis='atz', value=-3.6716)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='PBED3', mode='unCP', basis='atz', value=-2.6086)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='PBED3', mode='unCP', basis='atz', value=-4.6311)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='PBED3', mode='unCP', basis='atz', value=-2.7914)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='PBED3', mode='unCP', basis='atz', value=-5.6950)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='PBED3', mode='unCP', basis='atz', value=-6.9340)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='PBED3', mode='CP', basis='atz', value=-3.3793)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='PBED3', mode='CP', basis='atz', value=-5.3473)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='PBED3', mode='CP', basis='atz', value=-19.5242)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='PBED3', mode='CP', basis='atz', value=-16.2720)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='PBED3', mode='CP', basis='atz', value=-20.6667)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='PBED3', mode='CP', basis='atz', value=-17.9333)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='PBED3', mode='CP', basis='atz', value=-17.1731)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='PBED3', mode='CP', basis='atz', value=-0.8119)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='PBED3', mode='CP', basis='atz', value=-1.6333)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='PBED3', mode='CP', basis='atz', value=-1.5587)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='PBED3', mode='CP', basis='atz', value=-2.3543)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='PBED3', mode='CP', basis='atz', value=-3.5323)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='PBED3', mode='CP', basis='atz', value=-8.9324)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='PBED3', mode='CP', basis='atz', value=-3.6636)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='PBED3', mode='CP', basis='atz', value=-9.7447)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='PBED3', mode='CP', basis='atz', value=-1.8868)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='PBED3', mode='CP', basis='atz', value=-3.5704)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='PBED3', mode='CP', basis='atz', value=-2.5225)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='PBED3', mode='CP', basis='atz', value=-4.4813)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='PBED3', mode='CP', basis='atz', value=-2.6285)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='PBED3', mode='CP', basis='atz', value=-5.4370)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='PBED3', mode='CP', basis='atz', value=-6.7063)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='PBED3', mode='unCP', basis='dz', value=-6.3829)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='PBED3', mode='unCP', basis='dz', value=-9.1781)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='PBED3', mode='unCP', basis='dz', value=-25.5407)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='PBED3', mode='unCP', basis='dz', value=-21.5480)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='PBED3', mode='unCP', basis='dz', value=-24.7154)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='PBED3', mode='unCP', basis='dz', value=-22.4740)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='PBED3', mode='unCP', basis='dz', value=-22.3047)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='PBED3', mode='unCP', basis='dz', value=-0.9904)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='PBED3', mode='unCP', basis='dz', value=-2.2569)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='PBED3', mode='unCP', basis='dz', value=-1.9105)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='PBED3', mode='unCP', basis='dz', value=-3.3578)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='PBED3', mode='unCP', basis='dz', value=-4.9126)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='PBED3', mode='unCP', basis='dz', value=-11.7725)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='PBED3', mode='unCP', basis='dz', value=-5.2360)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='PBED3', mode='unCP', basis='dz', value=-13.6068)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='PBED3', mode='unCP', basis='dz', value=-2.3860)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='PBED3', mode='unCP', basis='dz', value=-4.6173)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='PBED3', mode='unCP', basis='dz', value=-3.0738)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='PBED3', mode='unCP', basis='dz', value=-4.9517)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='PBED3', mode='unCP', basis='dz', value=-3.3513)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='PBED3', mode='unCP', basis='dz', value=-6.6562)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='PBED3', mode='unCP', basis='dz', value=-10.1634)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='PBED3', mode='CP', basis='dz', value=-3.2690)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='PBED3', mode='CP', basis='dz', value=-5.4007)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='PBED3', mode='CP', basis='dz', value=-19.3765)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='PBED3', mode='CP', basis='dz', value=-15.8845)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='PBED3', mode='CP', basis='dz', value=-20.2234)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='PBED3', mode='CP', basis='dz', value=-18.0145)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='PBED3', mode='CP', basis='dz', value=-17.0117)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='PBED3', mode='CP', basis='dz', value=-0.7794)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='PBED3', mode='CP', basis='dz', value=-1.5570)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='PBED3', mode='CP', basis='dz', value=-1.4542)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='PBED3', mode='CP', basis='dz', value=-2.1399)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='PBED3', mode='CP', basis='dz', value=-3.1884)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='PBED3', mode='CP', basis='dz', value=-8.2502)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='PBED3', mode='CP', basis='dz', value=-3.3583)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='PBED3', mode='CP', basis='dz', value=-9.0155)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='PBED3', mode='CP', basis='dz', value=-1.9984)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='PBED3', mode='CP', basis='dz', value=-3.3332)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='PBED3', mode='CP', basis='dz', value=-2.3617)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='PBED3', mode='CP', basis='dz', value=-4.3490)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='PBED3', mode='CP', basis='dz', value=-2.6133)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='PBED3', mode='CP', basis='dz', value=-5.4882)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='PBED3', mode='CP', basis='dz', value=-6.7354)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='PBED3', mode='unCP', basis='tz', value=-4.8445)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='PBED3', mode='unCP', basis='tz', value=-7.0956)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='PBED3', mode='unCP', basis='tz', value=-21.4214)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='PBED3', mode='unCP', basis='tz', value=-17.9393)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='PBED3', mode='unCP', basis='tz', value=-21.8008)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='PBED3', mode='unCP', basis='tz', value=-19.3997)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='PBED3', mode='unCP', basis='tz', value=-18.7395)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='PBED3', mode='unCP', basis='tz', value=-0.8352)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='PBED3', mode='unCP', basis='tz', value=-1.8335)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='PBED3', mode='unCP', basis='tz', value=-1.6876)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='PBED3', mode='unCP', basis='tz', value=-2.7289)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='PBED3', mode='unCP', basis='tz', value=-4.0749)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='PBED3', mode='unCP', basis='tz', value=-10.2145)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='PBED3', mode='unCP', basis='tz', value=-4.3015)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='PBED3', mode='unCP', basis='tz', value=-11.3791)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='PBED3', mode='unCP', basis='tz', value=-2.0681)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='PBED3', mode='unCP', basis='tz', value=-4.6451)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='PBED3', mode='unCP', basis='tz', value=-3.0348)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='PBED3', mode='unCP', basis='tz', value=-4.7207)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='PBED3', mode='unCP', basis='tz', value=-2.8979)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='PBED3', mode='unCP', basis='tz', value=-6.0757)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='PBED3', mode='unCP', basis='tz', value=-7.9847)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='PBED3', mode='CP', basis='tz', value=-3.5061)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='PBED3', mode='CP', basis='tz', value=-5.3512)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='PBED3', mode='CP', basis='tz', value=-19.6790)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='PBED3', mode='CP', basis='tz', value=-16.3154)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='PBED3', mode='CP', basis='tz', value=-20.5581)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='PBED3', mode='CP', basis='tz', value=-17.9773)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='PBED3', mode='CP', basis='tz', value=-17.1297)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='PBED3', mode='CP', basis='tz', value=-0.8017)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='PBED3', mode='CP', basis='tz', value=-1.6462)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='PBED3', mode='CP', basis='tz', value=-1.5688)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='PBED3', mode='CP', basis='tz', value=-2.2627)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='PBED3', mode='CP', basis='tz', value=-3.4033)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='PBED3', mode='CP', basis='tz', value=-8.8133)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='PBED3', mode='CP', basis='tz', value=-3.5090)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='PBED3', mode='CP', basis='tz', value=-9.5231)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='PBED3', mode='CP', basis='tz', value=-1.9208)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='PBED3', mode='CP', basis='tz', value=-3.4840)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='PBED3', mode='CP', basis='tz', value=-2.4646)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='PBED3', mode='CP', basis='tz', value=-4.5693)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='PBED3', mode='CP', basis='tz', value=-2.6488)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='PBED3', mode='CP', basis='tz', value=-5.5298)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='PBED3', mode='CP', basis='tz', value=-6.6960)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='PBED3', mode='unCP', basis='hadz', value=-3.4665)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='PBED3', mode='unCP', basis='hadz', value=-5.8685)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='PBED3', mode='unCP', basis='hadz', value=-19.8474)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='PBED3', mode='unCP', basis='hadz', value=-16.7504)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='PBED3', mode='unCP', basis='hadz', value=-21.2746)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='PBED3', mode='unCP', basis='hadz', value=-18.5714)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='PBED3', mode='unCP', basis='hadz', value=-17.8988)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='PBED3', mode='unCP', basis='hadz', value=-0.9689)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='PBED3', mode='unCP', basis='hadz', value=-1.8122)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='PBED3', mode='unCP', basis='hadz', value=-1.8018)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='PBED3', mode='unCP', basis='hadz', value=-3.1375)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='PBED3', mode='unCP', basis='hadz', value=-4.3186)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='PBED3', mode='unCP', basis='hadz', value=-10.0584)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='PBED3', mode='unCP', basis='hadz', value=-4.9127)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='PBED3', mode='unCP', basis='hadz', value=-11.4388)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='PBED3', mode='unCP', basis='hadz', value=-2.0439)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='PBED3', mode='unCP', basis='hadz', value=-4.0788)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='PBED3', mode='unCP', basis='hadz', value=-2.8070)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='PBED3', mode='unCP', basis='hadz', value=-4.7357)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='PBED3', mode='unCP', basis='hadz', value=-3.1548)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='PBED3', mode='unCP', basis='hadz', value=-6.0210)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='PBED3', mode='unCP', basis='hadz', value=-7.3041)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='PBED3', mode='CP', basis='hadz', value=-3.2871)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='PBED3', mode='CP', basis='hadz', value=-5.4546)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='PBED3', mode='CP', basis='hadz', value=-19.2452)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='PBED3', mode='CP', basis='hadz', value=-16.1705)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='PBED3', mode='CP', basis='hadz', value=-20.5252)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='PBED3', mode='CP', basis='hadz', value=-17.8764)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='PBED3', mode='CP', basis='hadz', value=-17.1057)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='PBED3', mode='CP', basis='hadz', value=-0.8072)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='PBED3', mode='CP', basis='hadz', value=-1.5677)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='PBED3', mode='CP', basis='hadz', value=-1.5767)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='PBED3', mode='CP', basis='hadz', value=-2.4369)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='PBED3', mode='CP', basis='hadz', value=-3.5603)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='PBED3', mode='CP', basis='hadz', value=-8.8638)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='PBED3', mode='CP', basis='hadz', value=-3.7825)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='PBED3', mode='CP', basis='hadz', value=-9.8128)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='PBED3', mode='CP', basis='hadz', value=-1.8415)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='PBED3', mode='CP', basis='hadz', value=-3.6449)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='PBED3', mode='CP', basis='hadz', value=-2.5650)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='PBED3', mode='CP', basis='hadz', value=-4.3339)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='PBED3', mode='CP', basis='hadz', value=-2.6111)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='PBED3', mode='CP', basis='hadz', value=-5.3049)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='PBED3', mode='CP', basis='hadz', value=-6.6630)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='PBED3', mode='unCP', basis='hatz', value=-3.4402)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='PBED3', mode='unCP', basis='hatz', value=-5.4581)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='PBED3', mode='unCP', basis='hatz', value=-19.6905)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='PBED3', mode='unCP', basis='hatz', value=-16.4136)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='PBED3', mode='unCP', basis='hatz', value=-20.8977)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='PBED3', mode='unCP', basis='hatz', value=-18.1559)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='PBED3', mode='unCP', basis='hatz', value=-17.4345)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='PBED3', mode='unCP', basis='hatz', value=-0.8313)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='PBED3', mode='unCP', basis='hatz', value=-1.6679)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='PBED3', mode='unCP', basis='hatz', value=-1.6027)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='PBED3', mode='unCP', basis='hatz', value=-2.4853)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='PBED3', mode='unCP', basis='hatz', value=-3.7117)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='PBED3', mode='unCP', basis='hatz', value=-9.2765)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='PBED3', mode='unCP', basis='hatz', value=-3.9102)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='PBED3', mode='unCP', basis='hatz', value=-10.2083)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='PBED3', mode='unCP', basis='hatz', value=-1.9414)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='PBED3', mode='unCP', basis='hatz', value=-3.7114)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='PBED3', mode='unCP', basis='hatz', value=-2.5812)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='PBED3', mode='unCP', basis='hatz', value=-4.5589)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='PBED3', mode='unCP', basis='hatz', value=-2.7327)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='PBED3', mode='unCP', basis='hatz', value=-5.6184)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='PBED3', mode='unCP', basis='hatz', value=-6.8855)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='PBED3', mode='CP', basis='hatz', value=-3.3846)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='PBED3', mode='CP', basis='hatz', value=-5.3676)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='PBED3', mode='CP', basis='hatz', value=-19.5073)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='PBED3', mode='CP', basis='hatz', value=-16.2646)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='PBED3', mode='CP', basis='hatz', value=-20.6616)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='PBED3', mode='CP', basis='hatz', value=-17.9296)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='PBED3', mode='CP', basis='hatz', value=-17.1614)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='PBED3', mode='CP', basis='hatz', value=-0.8116)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='PBED3', mode='CP', basis='hatz', value=-1.6262)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='PBED3', mode='CP', basis='hatz', value=-1.5522)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='PBED3', mode='CP', basis='hatz', value=-2.3513)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='PBED3', mode='CP', basis='hatz', value=-3.5306)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='PBED3', mode='CP', basis='hatz', value=-8.9288)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='PBED3', mode='CP', basis='hatz', value=-3.6592)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='PBED3', mode='CP', basis='hatz', value=-9.7346)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='PBED3', mode='CP', basis='hatz', value=-1.8853)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='PBED3', mode='CP', basis='hatz', value=-3.5619)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='PBED3', mode='CP', basis='hatz', value=-2.5150)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='PBED3', mode='CP', basis='hatz', value=-4.4683)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='PBED3', mode='CP', basis='hatz', value=-2.6250)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='PBED3', mode='CP', basis='hatz', value=-5.4308)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='PBED3', mode='CP', basis='hatz', value=-6.6983)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='PBE0D2', mode='unCP', basis='adz', value=-3.7861)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='PBE0D2', mode='unCP', basis='adz', value=-5.6073)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='PBE0D2', mode='unCP', basis='adz', value=-20.8050)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='PBE0D2', mode='unCP', basis='adz', value=-17.5089)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='PBE0D2', mode='unCP', basis='adz', value=-22.0140)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='PBE0D2', mode='unCP', basis='adz', value=-18.6828)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='PBE0D2', mode='unCP', basis='adz', value=-18.0273)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='PBE0D2', mode='unCP', basis='adz', value=-0.8118)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='PBE0D2', mode='unCP', basis='adz', value=-1.9467)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='PBE0D2', mode='unCP', basis='adz', value=-1.8877)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='PBE0D2', mode='unCP', basis='adz', value=-2.8149)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='PBE0D2', mode='unCP', basis='adz', value=-4.1953)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='PBE0D2', mode='unCP', basis='adz', value=-9.9792)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='PBE0D2', mode='unCP', basis='adz', value=-4.7090)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='PBE0D2', mode='unCP', basis='adz', value=-11.9508)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='PBE0D2', mode='unCP', basis='adz', value=-2.1209)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='PBE0D2', mode='unCP', basis='adz', value=-4.0512)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='PBE0D2', mode='unCP', basis='adz', value=-2.8867)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='PBE0D2', mode='unCP', basis='adz', value=-5.7309)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='PBE0D2', mode='unCP', basis='adz', value=-3.3966)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='PBE0D2', mode='unCP', basis='adz', value=-6.6613)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='PBE0D2', mode='unCP', basis='adz', value=-7.3897)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='PBE0D2', mode='unCP', basis='atz', value=-3.5902)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='PBE0D2', mode='unCP', basis='atz', value=-5.4347)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='PBE0D2', mode='unCP', basis='atz', value=-20.6823)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='PBE0D2', mode='unCP', basis='atz', value=-17.0689)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='PBE0D2', mode='unCP', basis='atz', value=-21.5237)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='PBE0D2', mode='unCP', basis='atz', value=-18.0553)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='PBE0D2', mode='unCP', basis='atz', value=-17.4135)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='PBE0D2', mode='unCP', basis='atz', value=-0.5561)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='PBE0D2', mode='unCP', basis='atz', value=-1.6782)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='PBE0D2', mode='unCP', basis='atz', value=-1.4774)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='PBE0D2', mode='unCP', basis='atz', value=-1.7787)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='PBE0D2', mode='unCP', basis='atz', value=-3.3818)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='PBE0D2', mode='unCP', basis='atz', value=-9.0943)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='PBE0D2', mode='unCP', basis='atz', value=-3.3335)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='PBE0D2', mode='unCP', basis='atz', value=-10.5409)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='PBE0D2', mode='unCP', basis='atz', value=-1.8596)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='PBE0D2', mode='unCP', basis='atz', value=-3.6913)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='PBE0D2', mode='unCP', basis='atz', value=-2.4790)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='PBE0D2', mode='unCP', basis='atz', value=-5.2863)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='PBE0D2', mode='unCP', basis='atz', value=-2.6265)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='PBE0D2', mode='unCP', basis='atz', value=-5.7841)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='PBE0D2', mode='unCP', basis='atz', value=-6.8397)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='PBE0D3', mode='unCP', basis='adz', value=-3.5425)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='PBE0D3', mode='unCP', basis='adz', value=-5.6047)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='PBE0D3', mode='unCP', basis='adz', value=-20.6975)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='PBE0D3', mode='unCP', basis='adz', value=-17.5176)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='PBE0D3', mode='unCP', basis='adz', value=-22.2148)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='PBE0D3', mode='unCP', basis='adz', value=-18.9108)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='PBE0D3', mode='unCP', basis='adz', value=-18.3091)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='PBE0D3', mode='unCP', basis='adz', value=-0.9589)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='PBE0D3', mode='unCP', basis='adz', value=-1.9613)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='PBE0D3', mode='unCP', basis='adz', value=-2.0988)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='PBE0D3', mode='unCP', basis='adz', value=-3.4885)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='PBE0D3', mode='unCP', basis='adz', value=-4.5872)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='PBE0D3', mode='unCP', basis='adz', value=-10.6274)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='PBE0D3', mode='unCP', basis='adz', value=-5.3274)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='PBE0D3', mode='unCP', basis='adz', value=-12.2225)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='PBE0D3', mode='unCP', basis='adz', value=-2.2240)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='PBE0D3', mode='unCP', basis='adz', value=-4.1781)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='PBE0D3', mode='unCP', basis='adz', value=-3.1062)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='PBE0D3', mode='unCP', basis='adz', value=-5.6010)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='PBE0D3', mode='unCP', basis='adz', value=-3.7432)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='PBE0D3', mode='unCP', basis='adz', value=-6.8503)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='PBE0D3', mode='unCP', basis='adz', value=-7.7887)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='PBE0D3', mode='unCP', basis='atz', value=-3.3466)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='PBE0D3', mode='unCP', basis='atz', value=-5.4321)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='PBE0D3', mode='unCP', basis='atz', value=-20.5748)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='PBE0D3', mode='unCP', basis='atz', value=-17.0776)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='PBE0D3', mode='unCP', basis='atz', value=-21.7245)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='PBE0D3', mode='unCP', basis='atz', value=-18.2833)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='PBE0D3', mode='unCP', basis='atz', value=-17.6953)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='PBE0D3', mode='unCP', basis='atz', value=-0.7032)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='PBE0D3', mode='unCP', basis='atz', value=-1.6927)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='PBE0D3', mode='unCP', basis='atz', value=-1.6884)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='PBE0D3', mode='unCP', basis='atz', value=-2.4523)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='PBE0D3', mode='unCP', basis='atz', value=-3.7737)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='PBE0D3', mode='unCP', basis='atz', value=-9.7424)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='PBE0D3', mode='unCP', basis='atz', value=-3.9519)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='PBE0D3', mode='unCP', basis='atz', value=-10.8125)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='PBE0D3', mode='unCP', basis='atz', value=-1.9628)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='PBE0D3', mode='unCP', basis='atz', value=-3.8182)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='PBE0D3', mode='unCP', basis='atz', value=-2.6984)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='PBE0D3', mode='unCP', basis='atz', value=-5.1563)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='PBE0D3', mode='unCP', basis='atz', value=-2.9731)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='PBE0D3', mode='unCP', basis='atz', value=-5.9730)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='PBE0D3', mode='unCP', basis='atz', value=-7.2387)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='B97D2', mode='unCP', basis='adz', value=-3.3466)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='B97D2', mode='unCP', basis='adz', value=-4.4991)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='B97D2', mode='unCP', basis='adz', value=-17.9661)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='B97D2', mode='unCP', basis='adz', value=-15.2603)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='B97D2', mode='unCP', basis='adz', value=-19.7986)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='B97D2', mode='unCP', basis='adz', value=-17.2441)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='B97D2', mode='unCP', basis='adz', value=-16.5387)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='B97D2', mode='unCP', basis='adz', value=-0.8488)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='B97D2', mode='unCP', basis='adz', value=-1.8625)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='B97D2', mode='unCP', basis='adz', value=-1.8616)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='B97D2', mode='unCP', basis='adz', value=-3.4709)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='B97D2', mode='unCP', basis='adz', value=-4.7219)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='B97D2', mode='unCP', basis='adz', value=-10.5075)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='B97D2', mode='unCP', basis='adz', value=-5.7164)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='B97D2', mode='unCP', basis='adz', value=-13.0864)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='B97D2', mode='unCP', basis='adz', value=-2.0003)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='B97D2', mode='unCP', basis='adz', value=-3.7811)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='B97D2', mode='unCP', basis='adz', value=-2.8119)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='B97D2', mode='unCP', basis='adz', value=-5.2597)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='B97D2', mode='unCP', basis='adz', value=-3.5751)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='B97D2', mode='unCP', basis='adz', value=-6.8717)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='B97D2', mode='unCP', basis='adz', value=-6.7455)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='B97D2', mode='unCP', basis='atz', value=-3.1564)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='B97D2', mode='unCP', basis='atz', value=-4.3771)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='B97D2', mode='unCP', basis='atz', value=-17.8385)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='B97D2', mode='unCP', basis='atz', value=-14.8516)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='B97D2', mode='unCP', basis='atz', value=-19.3201)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='B97D2', mode='unCP', basis='atz', value=-16.7665)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='B97D2', mode='unCP', basis='atz', value=-15.9353)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='B97D2', mode='unCP', basis='atz', value=-0.5736)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='B97D2', mode='unCP', basis='atz', value=-1.5505)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='B97D2', mode='unCP', basis='atz', value=-1.5488)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='B97D2', mode='unCP', basis='atz', value=-2.6970)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='B97D2', mode='unCP', basis='atz', value=-4.0971)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='B97D2', mode='unCP', basis='atz', value=-9.8486)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='B97D2', mode='unCP', basis='atz', value=-4.7108)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='B97D2', mode='unCP', basis='atz', value=-11.9225)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='B97D2', mode='unCP', basis='atz', value=-1.7174)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='B97D2', mode='unCP', basis='atz', value=-3.5268)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='B97D2', mode='unCP', basis='atz', value=-2.4941)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='B97D2', mode='unCP', basis='atz', value=-4.9428)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='B97D2', mode='unCP', basis='atz', value=-2.9341)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='B97D2', mode='unCP', basis='atz', value=-6.1410)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='B97D2', mode='unCP', basis='atz', value=-6.2616)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='B97D2', mode='unCP', basis='hadz', value=-3.1766)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='B97D2', mode='unCP', basis='hadz', value=-4.7766)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='B97D2', mode='unCP', basis='hadz', value=-17.8451)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='B97D2', mode='unCP', basis='hadz', value=-15.0647)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='B97D2', mode='unCP', basis='hadz', value=-19.5677)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='B97D2', mode='unCP', basis='hadz', value=-17.0513)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='B97D2', mode='unCP', basis='hadz', value=-16.2821)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='B97D2', mode='unCP', basis='hadz', value=-0.7259)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='B97D2', mode='unCP', basis='hadz', value=-1.6777)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='B97D2', mode='unCP', basis='hadz', value=-1.6604)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='B97D2', mode='unCP', basis='hadz', value=-3.2516)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='B97D2', mode='unCP', basis='hadz', value=-4.6435)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='B97D2', mode='unCP', basis='hadz', value=-10.5397)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='B97D2', mode='unCP', basis='hadz', value=-5.5439)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='B97D2', mode='unCP', basis='hadz', value=-12.9381)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='B97D2', mode='unCP', basis='hadz', value=-1.8066)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='B97D2', mode='unCP', basis='hadz', value=-3.8962)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='B97D2', mode='unCP', basis='hadz', value=-2.6547)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='B97D2', mode='unCP', basis='hadz', value=-5.0214)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='B97D2', mode='unCP', basis='hadz', value=-3.2802)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='B97D2', mode='unCP', basis='hadz', value=-6.4292)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='B97D2', mode='unCP', basis='hadz', value=-6.6028)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='B97D2', mode='unCP', basis='hatz', value=-3.1691)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='B97D2', mode='unCP', basis='hatz', value=-4.4023)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='B97D2', mode='unCP', basis='hatz', value=-17.7210)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='B97D2', mode='unCP', basis='hatz', value=-14.7789)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='B97D2', mode='unCP', basis='hatz', value=-19.2260)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='B97D2', mode='unCP', basis='hatz', value=-16.6812)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='B97D2', mode='unCP', basis='hatz', value=-15.8623)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='B97D2', mode='unCP', basis='hatz', value=-0.5675)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='B97D2', mode='unCP', basis='hatz', value=-1.5196)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='B97D2', mode='unCP', basis='hatz', value=-1.4929)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='B97D2', mode='unCP', basis='hatz', value=-2.6822)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='B97D2', mode='unCP', basis='hatz', value=-4.0583)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='B97D2', mode='unCP', basis='hatz', value=-9.8067)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='B97D2', mode='unCP', basis='hatz', value=-4.6862)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='B97D2', mode='unCP', basis='hatz', value=-11.8931)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='B97D2', mode='unCP', basis='hatz', value=-1.7026)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='B97D2', mode='unCP', basis='hatz', value=-3.5299)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='B97D2', mode='unCP', basis='hatz', value=-2.4460)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='B97D2', mode='unCP', basis='hatz', value=-4.8552)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='B97D2', mode='unCP', basis='hatz', value=-2.9092)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='B97D2', mode='unCP', basis='hatz', value=-6.0672)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='B97D2', mode='unCP', basis='hatz', value=-6.2026)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='B97D3', mode='unCP', basis='adz', value=-3.1349)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='B97D3', mode='unCP', basis='adz', value=-4.7594)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='B97D3', mode='unCP', basis='adz', value=-18.4771)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='B97D3', mode='unCP', basis='adz', value=-15.7564)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='B97D3', mode='unCP', basis='adz', value=-20.1747)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='B97D3', mode='unCP', basis='adz', value=-17.4859)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='B97D3', mode='unCP', basis='adz', value=-16.8134)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='B97D3', mode='unCP', basis='adz', value=-0.8641)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='B97D3', mode='unCP', basis='adz', value=-2.2030)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='B97D3', mode='unCP', basis='adz', value=-1.9067)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='B97D3', mode='unCP', basis='adz', value=-3.3786)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='B97D3', mode='unCP', basis='adz', value=-4.6133)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='B97D3', mode='unCP', basis='adz', value=-10.2914)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='B97D3', mode='unCP', basis='adz', value=-5.2497)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='B97D3', mode='unCP', basis='adz', value=-11.9260)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='B97D3', mode='unCP', basis='adz', value=-2.1217)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='B97D3', mode='unCP', basis='adz', value=-3.8778)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='B97D3', mode='unCP', basis='adz', value=-2.8955)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='B97D3', mode='unCP', basis='adz', value=-5.3432)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='B97D3', mode='unCP', basis='adz', value=-3.5819)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='B97D3', mode='unCP', basis='adz', value=-6.5581)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='B97D3', mode='unCP', basis='adz', value=-7.0599)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='B97D3', mode='unCP', basis='atz', value=-2.9447)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='B97D3', mode='unCP', basis='atz', value=-4.6374)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='B97D3', mode='unCP', basis='atz', value=-18.3495)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='B97D3', mode='unCP', basis='atz', value=-15.3477)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='B97D3', mode='unCP', basis='atz', value=-19.6961)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='B97D3', mode='unCP', basis='atz', value=-17.0083)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='B97D3', mode='unCP', basis='atz', value=-16.2100)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='B97D3', mode='unCP', basis='atz', value=-0.5890)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='B97D3', mode='unCP', basis='atz', value=-1.8910)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='B97D3', mode='unCP', basis='atz', value=-1.5939)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='B97D3', mode='unCP', basis='atz', value=-2.6047)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='B97D3', mode='unCP', basis='atz', value=-3.9885)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='B97D3', mode='unCP', basis='atz', value=-9.6326)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='B97D3', mode='unCP', basis='atz', value=-4.2440)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='B97D3', mode='unCP', basis='atz', value=-10.7621)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='B97D3', mode='unCP', basis='atz', value=-1.8388)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='B97D3', mode='unCP', basis='atz', value=-3.6235)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='B97D3', mode='unCP', basis='atz', value=-2.5778)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='B97D3', mode='unCP', basis='atz', value=-5.0263)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='B97D3', mode='unCP', basis='atz', value=-2.9409)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='B97D3', mode='unCP', basis='atz', value=-5.8275)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='B97D3', mode='unCP', basis='atz', value=-6.5760)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='B97D3', mode='unCP', basis='hadz', value=-2.9649)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='B97D3', mode='unCP', basis='hadz', value=-5.0368)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='B97D3', mode='unCP', basis='hadz', value=-18.3561)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='B97D3', mode='unCP', basis='hadz', value=-15.5608)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='B97D3', mode='unCP', basis='hadz', value=-19.9437)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='B97D3', mode='unCP', basis='hadz', value=-17.2930)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='B97D3', mode='unCP', basis='hadz', value=-16.5568)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='B97D3', mode='unCP', basis='hadz', value=-0.7413)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='B97D3', mode='unCP', basis='hadz', value=-2.0182)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='B97D3', mode='unCP', basis='hadz', value=-1.7055)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='B97D3', mode='unCP', basis='hadz', value=-3.1593)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='B97D3', mode='unCP', basis='hadz', value=-4.5349)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='B97D3', mode='unCP', basis='hadz', value=-10.3237)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='B97D3', mode='unCP', basis='hadz', value=-5.0771)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='B97D3', mode='unCP', basis='hadz', value=-11.7777)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='B97D3', mode='unCP', basis='hadz', value=-1.9280)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='B97D3', mode='unCP', basis='hadz', value=-3.9928)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='B97D3', mode='unCP', basis='hadz', value=-2.7384)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='B97D3', mode='unCP', basis='hadz', value=-5.1049)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='B97D3', mode='unCP', basis='hadz', value=-3.2870)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='B97D3', mode='unCP', basis='hadz', value=-6.1157)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='B97D3', mode='unCP', basis='hadz', value=-6.9173)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='B97D3', mode='unCP', basis='hatz', value=-2.9574)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='B97D3', mode='unCP', basis='hatz', value=-4.6626)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='B97D3', mode='unCP', basis='hatz', value=-18.2320)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='B97D3', mode='unCP', basis='hatz', value=-15.2751)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='B97D3', mode='unCP', basis='hatz', value=-19.6020)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='B97D3', mode='unCP', basis='hatz', value=-16.9230)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='B97D3', mode='unCP', basis='hatz', value=-16.1370)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='B97D3', mode='unCP', basis='hatz', value=-0.5829)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='B97D3', mode='unCP', basis='hatz', value=-1.8601)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='B97D3', mode='unCP', basis='hatz', value=-1.5380)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='B97D3', mode='unCP', basis='hatz', value=-2.5899)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='B97D3', mode='unCP', basis='hatz', value=-3.9497)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='B97D3', mode='unCP', basis='hatz', value=-9.5907)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='B97D3', mode='unCP', basis='hatz', value=-4.2194)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='B97D3', mode='unCP', basis='hatz', value=-10.7327)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='B97D3', mode='unCP', basis='hatz', value=-1.8240)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='B97D3', mode='unCP', basis='hatz', value=-3.6266)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='B97D3', mode='unCP', basis='hatz', value=-2.5296)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='B97D3', mode='unCP', basis='hatz', value=-4.9387)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='B97D3', mode='unCP', basis='hatz', value=-2.9160)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='B97D3', mode='unCP', basis='hatz', value=-5.7537)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='B97D3', mode='unCP', basis='hatz', value=-6.5170)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='B3LYPXDM', mode='unCP', basis='adz', value=-3.0873)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='B3LYPXDM', mode='unCP', basis='adz', value=-5.0859)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='B3LYPXDM', mode='unCP', basis='adz', value=-19.4363)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='B3LYPXDM', mode='unCP', basis='adz', value=-16.5337)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='B3LYPXDM', mode='unCP', basis='adz', value=-21.2112)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='B3LYPXDM', mode='unCP', basis='adz', value=-17.8254)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='B3LYPXDM', mode='unCP', basis='adz', value=-17.2368)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='B3LYPXDM', mode='unCP', basis='adz', value=-0.8664)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='B3LYPXDM', mode='unCP', basis='adz', value=-1.8212)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='B3LYPXDM', mode='unCP', basis='adz', value=-1.7271)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='B3LYPXDM', mode='unCP', basis='adz', value=-3.4108)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='B3LYPXDM', mode='unCP', basis='adz', value=-4.7588)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='B3LYPXDM', mode='unCP', basis='adz', value=-10.1379)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='B3LYPXDM', mode='unCP', basis='adz', value=-5.3460)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='B3LYPXDM', mode='unCP', basis='adz', value=-12.2215)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='B3LYPXDM', mode='unCP', basis='adz', value=-2.0265)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='B3LYPXDM', mode='unCP', basis='adz', value=-3.5907)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='B3LYPXDM', mode='unCP', basis='adz', value=-2.6248)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='B3LYPXDM', mode='unCP', basis='adz', value=-4.8607)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='B3LYPXDM', mode='unCP', basis='adz', value=-3.0653)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='B3LYPXDM', mode='unCP', basis='adz', value=-5.6892)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='B3LYPXDM', mode='unCP', basis='adz', value=-7.0947)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=1, method='B3LYPXDM', mode='unCP', basis='atz', value=-2.9054)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=2, method='B3LYPXDM', mode='unCP', basis='atz', value=-4.9582)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=3, method='B3LYPXDM', mode='unCP', basis='atz', value=-19.2900)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=4, method='B3LYPXDM', mode='unCP', basis='atz', value=-16.1196)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=5, method='B3LYPXDM', mode='unCP', basis='atz', value=-20.6591)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=6, method='B3LYPXDM', mode='unCP', basis='atz', value=-17.0660)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=7, method='B3LYPXDM', mode='unCP', basis='atz', value=-16.4993)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=8, method='B3LYPXDM', mode='unCP', basis='atz', value=-0.5670)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=9, method='B3LYPXDM', mode='unCP', basis='atz', value=-1.4593)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=10, method='B3LYPXDM', mode='unCP', basis='atz', value=-1.4602)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=11, method='B3LYPXDM', mode='unCP', basis='atz', value=-2.7858)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=12, method='B3LYPXDM', mode='unCP', basis='atz', value=-4.1424)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=13, method='B3LYPXDM', mode='unCP', basis='atz', value=-9.5292)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=14, method='B3LYPXDM', mode='unCP', basis='atz', value=-4.7575)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=15, method='B3LYPXDM', mode='unCP', basis='atz', value=-11.0986)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=16, method='B3LYPXDM', mode='unCP', basis='atz', value=-1.7395)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=17, method='B3LYPXDM', mode='unCP', basis='atz', value=-3.4086)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=18, method='B3LYPXDM', mode='unCP', basis='atz', value=-2.3751)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=19, method='B3LYPXDM', mode='unCP', basis='atz', value=-4.6268)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=20, method='B3LYPXDM', mode='unCP', basis='atz', value=-2.4876)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=21, method='B3LYPXDM', mode='unCP', basis='atz', value=-4.9727)
    dbinstance.add_ReactionDatum(citation='dft', dbse='S22', rxn=22, method='B3LYPXDM', mode='unCP', basis='atz', value=-6.6365)
