13 Benzonitrile,^1A_1,CC3,cc-pVTZ C 0.00000000 0.00000000 -1.97392739 C 0.00000000 0.00000000 -0.54357340 C 1.21054801 0.00000000 0.15130424 C -1.21054801 0.00000000 0.15130424 C 0.00000000 0.00000000 2.23456149 C 1.20683919 0.00000000 1.53983404 C -1.20683919 0.00000000 1.53983404 N 0.00000000 0.00000000 -3.13611602 H 2.13750797 0.00000000 -0.39729878 H -2.13750797 0.00000000 -0.39729878 H 2.14082120 0.00000000 2.07676673 H -2.14082120 0.00000000 2.07676673 H 0.00000000 0.00000000 3.31208077