#! single-point CCSD(T)/qz2p

print '        <<< Literal ZMAT to Cfour >>>'

cfour {
UHF-CCSD(T) energy calculation 
N
H 1 R
H 1 R 2 A

R=1.008
A=105.0

*ACES2(CALC=CCSD(T),BASIS=qz2p
MULT=2,REF=UHF
OCCUPATION=3-1-1-0/3-0-1-0
SCF_CONV=12
PRINT=2
CC_CONV=12
MEMORY=20000000)
}

energy('cfour')



clean()
clean_variables()
cfour {}

print '        <<< Translation of ZMAT to Psi4 format to Cfour >>>'

banner('UHF-CCSD(T) energy calculation')

molecule {
0 2
N
H 1 R
H 1 R 2 A

R=1.008
A=105.0
}

set {
cfour_CALC_level=CCSD(T)
cfour_BASIS=qz2p
cfour_MULTiplicity=2
cfour_REFerence=UHF
cfour_OCCUPATION= [[3,1 ,1, 0] ,[ 3,0 ,1,0]    ]
cfour_SCF_CONV=12
cfour_PRINT=2
cfour_CC_CONV=12
}

energy('cfour')



clean()
clean_variables()
cfour {}

print '        <<< Translation of ZMAT to Psi4 format to Cfour >>>'

banner('UHF-CCSD(T) energy calculation')

molecule {
0 2
N
H 1 R
H 1 R 2 A

R=1.008
A=105.0
}

set {
cfour_CALC_level=CCSD(T)
cfour_BASIS=qz2p
cfour_MULTiplicity=2
cfour_REFerence=UHF
cfour_OCCUPATION= [[3,1 ,1, 0] ,[ 3,0 ,1,0]    ]
cfour_SCF_CONV=12
cfour_PRINT=2
cfour_CC_CONV=12
}

energy('cfour')



