TITLE HCl_p, MP2/6-31G* geometry CHARGE +1 PWFTOL 0.000000000001 ANGSTROM ATOMS CL 17 0.000000 0.000000 0.000000 LIBRARY CLscG2ae END H 1 0.000000 0.000000 1.309800 LIBRARY HscG2ae END END MULTIPLICITY 2 UHF NOOCCAV DFT KOHNSHAM EM LEBEDEV VFOCK OFF MOBASIS OFF functional QUAD 1 END START FINISH