TITLE tetrahydrothiophene, MP2/6-31G* geometry PWFTOL 0.000000000001 ANGSTROM ATOMS H 1 1.002230 1.787285 0.006505 LIBRARY HscG2ae END S 16 0.000000 0.000000 1.304132 LIBRARY SscG2ae END C 6 -0.008049 -1.335144 0.053944 LIBRARY CscG2ae END C 6 0.350018 -0.676926 -1.274988 LIBRARY CscG2ae END C 6 -0.350018 0.676926 -1.274988 LIBRARY CscG2ae END C 6 0.008049 1.335144 0.053944 LIBRARY CscG2ae END H 1 -0.709331 2.106250 0.342903 LIBRARY HscG2ae END H 1 -1.002230 -1.787285 0.006505 LIBRARY HscG2ae END H 1 0.709331 -2.106250 0.342903 LIBRARY HscG2ae END H 1 1.433792 -0.529329 -1.336129 LIBRARY HscG2ae END H 1 0.046663 -1.303551 -2.120074 LIBRARY HscG2ae END H 1 -1.433792 0.529329 -1.336129 LIBRARY HscG2ae END H 1 -0.046663 1.303551 -2.120074 LIBRARY HscG2ae END END DFT KOHNSHAM EM LEBEDEV VFOCK OFF MOBASIS OFF functional QUAD 1 END START FINISH