TITLE N2H3_p, MP2/6-31G* geometry CHARGE +1 PWFTOL 0.000000000001 ANGSTROM ATOMS N 7 0.046391 -0.542705 0.000000 LIBRARY NscG2ae END N 7 0.060624 0.696783 0.000000 LIBRARY NscG2ae END H 1 -0.806226 -1.130043 0.000000 LIBRARY HscG2ae END H 1 0.962489 -1.017154 0.000000 LIBRARY HscG2ae END H 1 -0.905372 1.068656 0.000000 LIBRARY HscG2ae END END DFT KOHNSHAM EM LEBEDEV VFOCK OFF MOBASIS OFF functional QUAD 1 END START FINISH