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


print '    <<<  RHF  >>>'

cfour {
MP2 single-point energy calculation
O
H 1 R
H 1 R 2 A

R=0.958
A=104.5

*ACES2(CALC=MP2,BASIS=AUG-PVDZ
SCF_CONV=12
MEMORY=20000000)
}

energy('cfour')
print_variables()
clean()


molecule h2o {
O
H 1 R
H 1 R 2 A

R=0.958
A=104.5
}

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

energy('mp2')

print_variables()


