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 -29.6144 0.85165159D+00-0.57612334D-17 0.43465231D-12 0.23293333D+00 0.33198768D+00 0.33198768D+00 ORBITAL 2 1b2 -17.8397 -0.24355275D-11 0.10829885D-15 0.82175521D+00 0.11747686D-11 0.40293819D+00 -0.40293819D+00 ORBITAL 2 2a1 -14.2157 -0.42583037D+00 0.30723321D-15-0.28495817D-11 0.82977110D+00 0.25509646D+00 0.25509646D+00 ORBITAL 2 1b1 -12.1155 0.20612918D-15 0.10000000D+01-0.10238173D-15-0.28147154D-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 CHARGE=0 PM7 1SCF ALLVEC