TITLE t13butadiene, MP2/6-31G* geometry PWFTOL 0.000000000001 ANGSTROM ATOMS C 6 .605711 1.746550 .000000 LIBRARY CscG2ae END C 6 .605711 .404083 .000000 LIBRARY CscG2ae END C 6 -.605711 -.404083 .000000 LIBRARY CscG2ae END C 6 -.605711 -1.746550 .000000 LIBRARY CscG2ae END H 1 1.527617 2.317443 .000000 LIBRARY HscG2ae END H 1 -.321132 2.313116 .000000 LIBRARY HscG2ae END H 1 1.553503 -.133640 .000000 LIBRARY HscG2ae END H 1 -1.553503 .133640 .000000 LIBRARY HscG2ae END H 1 .321132 -2.313116 .000000 LIBRARY HscG2ae END H 1 -1.527617 -2.317443 .000000 LIBRARY HscG2ae END END MULTIPLICITY 1 DFT KOHNSHAM EM LEBEDEV VFOCK OFF MOBASIS OFF functional QUAD 1 END START FINISH