3 MOPAC-Graphical data Version 2012.15.230W 8 0.0000000 0.0000000 0.0000000 -0.6494 1 0.0000000 0.7598630 0.5790032 0.3247 1 0.0000000 -0.7598630 0.5790032 0.3247 5.9723090 2.3490170 0.0000000 1.2602370 0.0000000 0.0000000 1.2602370 0.0000000 0.0000000 ORBITAL 2 1a1 -20.8688 -0.29405607D+00-0.52557618D-16 0.58106868D+00-0.48809938D+00-0.11128676D-01 -0.58096933D+00 ORBITAL 2 1b2 -20.8688 0.29405607D+00 0.20571532D-15 0.58106868D+00 0.48809938D+00 0.58096933D+00 0.11128676D-01 ORBITAL 2 2a1 -19.9323 0.85656523D+00 0.18937713D-17 0.31015902D-08-0.51603877D+00 0.30236532D-08 -0.17062980D-10 ORBITAL 2 1b1 -12.1155 -0.71754757D-17 0.10000000D+01-0.10238173D-15-0.15296589D-15-0.19728360D-15 -0.12306201D-15 ORBITAL 0 3a1 4.0485 -0.30554553D+00 0.11408401D-15-0.81490786D-11-0.50717056D+00 0.56983329D+00 0.56983329D+00 ORBITAL 0 2b2 6.3509 -0.36364245D-11 0.10281374D-16 0.56984065D+00-0.49756310D-11-0.58106868D+00 0.58106868D+00 INVERSE_MATRIX[6x6]= 0.10131822D+01 0.85456182D-15 0.10000000D+01 0.18386719D-11-0.59676390D-21 0.11015119D+01 0.21592564D-01 0.16128458D-14 0.30118497D-11 0.10353689D+01 -0.63606714D-01-0.45806639D-14-0.21612383D+00-0.10418856D+00 0.11070590D+01 -0.63606714D-01-0.45806634D-14 0.21612383D+00-0.10418856D+00-0.16882906D+00 0.11070590D+01 Keywords: T=99D GRAPHF AUX(MOS=99999,PRECISION=4) CHARGE=0 PM7 1SCF LOCALIZE ALLVEC