4 MOPAC-Graphical data Version 2012.15.230W 7 0.0000000 0.0000000 0.0000000 -0.7266 1 0.9415940 0.0000000 0.3222236 0.2422 1 -0.4707970 0.8154444 0.3222236 0.2422 1 -0.4707970 -0.8154444 0.3222236 0.2422 2.3543440 2.0282880 0.0000000 1.2602370 0.0000000 0.0000000 1.2602370 0.0000000 0.0000000 1.2602370 0.0000000 0.0000000 ORBITAL 2 1a1 -35.7872 0.84936325D+00 0.38068204D-09 0.36859404D-13 0.12709137D+00 0.29576447D+00 0.29576447D+00 0.29576447D+00 ORBITAL 2 1e -16.2318 -0.13387486D-11-0.14200393D-03 0.77135383D+00 0.36083463D-12-0.94003691D-04 0.45005436D+00-0.44996035D+00 ORBITAL 2 1e -16.2318 -0.88376040D-09 0.77135383D+00 0.14200394D-03-0.20543256D-09 0.51962373D+00 -0.25973046D+00-0.25989328D+00 ORBITAL 2 2a1 -10.1505 -0.29094075D+00-0.14153795D-09-0.13184315D-11 0.92254376D+00 0.14636312D+00 0.14636312D+00 0.14636312D+00 ORBITAL 0 3a1 4.5727 -0.44038115D+00-0.25232989D-08-0.69680650D-11-0.36436355D+00 0.47374524D+00 0.47374524D+00 0.47374524D+00 ORBITAL 0 2e 6.9812 -0.12476883D-08 0.63640646D+00-0.25135448D-03-0.10665239D-08-0.62980772D+00 0.31512103D+00 0.31468670D+00 ORBITAL 0 2e 6.9812 -0.41466830D-11 0.25135448D-03 0.63640646D+00-0.28985425D-11-0.25075719D-03 -0.54530411D+00 0.54555487D+00 INVERSE_MATRIX[7x7]= 0.12355721D+01 -0.85297301D-10 0.11459091D+01 0.89329244D-11-0.59443180D-11 0.11459091D+01 0.76065582D-01-0.55080093D-10 0.28842829D-11 0.10245614D+01 -0.23585871D+00-0.30272365D+00 0.31646355D-11-0.76158139D-01 0.12108245D+01 -0.23585871D+00 0.15136182D+00-0.26216637D+00-0.76158139D-01-0.87099180D-01 0.12108245D+01 -0.23585871D+00 0.15136182D+00 0.26216637D+00-0.76158139D-01-0.87099180D-01 -0.87099180D-01 0.12108245D+01 Keywords: T=99D GRAPHF CHARGE=0 PM7 1SCF ALLVEC