#! ROHF MP2 energy components. Checks that computed identically
#! between cfour and psi4


print '    <<<  ROHF  >>>'

cfour {
ROHF-MP2 energy calculation 
N
H 1 R
H 1 R 2 A

R=1.008
A=105.0

*ACES2(CALC=MP2,BASIS=AUG-PVDZ
MULT=2,REF=ROHF
OCCUPATION=3-1-1-0/3-0-1-0
SCF_CONV=12
CC_CONV=12
MEMORY=20000000)
}

energy('cfour')


molecule {
N
H 1 R
H 1 R 2 A

R=1.008
A=105.0
}

set reference rohf
set basis aug-cc-pvdz
set e_convergence 10
set mp2_type conv

energy('mp2')
print_variables()
clean()


