TITLE H2CO -> data for net BASIS TZ2P ANGSTROM VARIABLES R1 1.20250285 R2 1.11279804 THETA 122.18986520 D END ATOMS C 6 0.0 0.0 0.0 O 8 0.0 0.0 R1 H1 1 POL R2 THETA 0.0 H2 1 POL R2 THETA 180.0 END CONVERGE 6 DFT KOHNSHAM EM LEBEDEV QUAD 1 VFOCK OFF MOBASIS OFF functional END OPTIMISE GRADTOL 5 START FINISH