# ROHF-MP2 with standard orbitals basis=cc-pVDZ mem=4GB calc=CCSD scftype=ROHF unit=bohr core=corr charge=1 mult=2 symm=off cmpgr=C1 dfbasis_cor=none dfbasis_scf=none geom=xyz 3 O 0.00000000000000 0.00000000000000 -0.12178983933899 H 1.41713420892173 0.00000000000000 0.96657854674257 H -1.41713420892173 0.00000000000000 0.96657854674257