TITLE HCOOH, MP2/6-31G* geometry PWFTOL 0.000000000001 ANGSTROM ATOMS O 8 -1.040945 -.436432 .000000 LIBRARY OscG2ae END C 6 .000000 .423949 .000000 LIBRARY CscG2ae END O 8 1.169372 .103741 .000000 LIBRARY OscG2ae END H 1 -.649570 -1.335134 .000000 LIBRARY HscG2ae END H 1 -.377847 1.452967 .000000 LIBRARY HscG2ae END END MULTIPLICITY 1 DFT KOHNSHAM EM LEBEDEV VFOCK OFF MOBASIS OFF functional QUAD 1 END START FINISH