1 MOPAC-Graphical data Version 2012.15.230W 6 0.0000000 0.0000000 0.0000000 0.0000 1.9422440 1.7087230 0.0000000 ORBITAL 1 1s(g) -17.9821 0.10000000D+01 0.46238115D-15 0.22204460D-15 0.00000000D+00 ORBITAL 1 1p(u) -11.3010 -0.46238512D-15 0.10000000D+01 0.17802093D-04 0.00000000D+00 ORBITAL 1 1p(u) -11.3010 -0.22204460D-15-0.17802093D-04 0.10000000D+01 0.00000000D+00 ORBITAL 1 1p(u) -11.3010 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.10000000D+01 INVERSE_MATRIX[4x4]= 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 Keywords: T=99D GRAPHF CHARGE=0 PM7 1SCF UHF QUINTET ORBITAL 0 1s(g) -3.2269 0.10000000D+01-0.10489702D-15 0.00000000D+00 0.00000000D+00 ORBITAL 0 1p(u) 1.0206 0.10489698D-15 0.10000000D+01-0.49827806D-06 0.00000000D+00 ORBITAL 0 1p(u) 1.0206 0.00000000D+00 0.49827806D-06 0.10000000D+01 0.00000000D+00 ORBITAL 0 1p(u) 1.0206 0.00000000D+00 0.00000000D+00 0.00000000D+00 0.10000000D+01