1 MOPAC-Graphical data Version 2012.15.230W 25 0.0000000 0.0000000 0.0000000 0.0000 1.6664400 2.0787350 2.8970700 ORBITAL 1 1???? -15.0685 0.25932285D-15-0.17902126D-15-0.84301801D-16 0.23376923D-15 0.10000000D+01 -0.37382633D-04 0.16212379D-04 0.14388762D-05 0.00000000D+00 ORBITAL 1 2???? -15.0685 0.14153359D-14 0.34694470D-17 0.17347235D-16 0.10408341D-16 0.37381066D-04 0.99999999D+00 0.96672648D-04-0.43768218D-06 0.00000000D+00 ORBITAL 1 3???? -15.0685 -0.11617967D-15-0.48572257D-16 0.34694470D-16 0.17347235D-16-0.16215970D-04 -0.96672049D-04 0.10000000D+01-0.15579259D-04 0.00000000D+00 ORBITAL 1 4???? -15.0685 0.98740325D-16-0.11102230D-15 0.00000000D+00-0.11102230D-15-0.14391125D-05 0.43622989D-06 0.15579278D-04 0.10000000D+01 0.00000000D+00 ORBITAL 1 5???? -15.0685 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.10000000D+01 ORBITAL 1 1s(g) -13.3564 0.10000000D+01-0.16664526D-16-0.12502206D-17 0.13173056D-16-0.25938540D-15 -0.15178855D-14 0.10552040D-15-0.78733407D-16 0.00000000D+00 ORBITAL 0 1p(u) 48.6972 0.22229533D-16 0.10000000D+01 0.62066650D-04-0.43572649D-04-0.12118839D-15 0.17347235D-16-0.58980598D-16-0.11102230D-15 0.00000000D+00 ORBITAL 0 1p(u) 48.6972 0.89277273D-18-0.62064033D-04 0.10000000D+01 0.60059187D-04 0.65382473D-16 -0.27755576D-16 0.10408341D-15-0.22204460D-15 0.00000000D+00 ORBITAL 0 1p(u) 48.6972 -0.19778219D-16 0.43576377D-04-0.60056483D-04 0.10000000D+01 0.93861415D-16 0.24286129D-16 0.13877788D-16 0.00000000D+00 0.00000000D+00 INVERSE_MATRIX[9x9]= 0.10000000D+01 0.00000000D+00 0.10000000D+01 0.00000000D+00 0.00000000D+00 0.10000000D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.10000000D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.10000000D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.10000000D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.10000000D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.10000000D+01 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.10000000D+01 Keywords: T=99D GRAPHF CHARGE=0 PM7 1SCF UHF SEXTET ORBITAL 1 1s(g) -11.3481 0.10000000D+01-0.45102810D-16-0.16306401D-15 0.26020852D-17 0.61360708D-16 0.90205621D-16 0.34867942D-15-0.11102230D-15 0.19861748D-16 ORBITAL 0 2???? -5.0121 -0.61357902D-16 0.41244827D-16-0.12093910D-16 0.60739004D-17 0.10000000D+01 0.20303588D-05-0.81017295D-05 0.15725598D-06-0.21762039D-11 ORBITAL 0 3???? -5.0121 0.27755576D-16-0.11275703D-16-0.34694470D-16-0.68629998D-16-0.20304737D-05 0.10000000D+01-0.14319969D-04-0.71387841D-05 0.24877763D-06 ORBITAL 0 4???? -5.0121 -0.23765712D-15-0.10408341D-16-0.12490009D-15-0.95789262D-16 0.81016963D-05 0.14320170D-04 0.10000000D+01 0.25869168D-04-0.26831246D-06 ORBITAL 0 5???? -5.0121 0.83266727D-16-0.13877788D-16 0.55511151D-16-0.29490299D-16-0.15748006D-06 0.71384145D-05-0.25869270D-04 0.10000000D+01-0.47595835D-05 ORBITAL 0 6???? -5.0121 -0.19861652D-16 0.59535828D-18 0.20421964D-17-0.61753996D-19 0.41055869D-11 -0.24873981D-06 0.26819290D-06 0.47595922D-05 0.10000000D+01 ORBITAL 0 1p(u) 50.3249 -0.20816682D-16 0.10000000D+01 0.13250981D-04-0.11090433D-05-0.33299406D-15 0.40245585D-15-0.21597307D-15 0.11102230D-15-0.59536621D-18 ORBITAL 0 1p(u) 50.3249 0.10408341D-16-0.13250987D-04 0.10000000D+01-0.54487280D-05 0.89853361D-16 -0.58980598D-16-0.20122792D-15-0.13877788D-15-0.20418436D-17