set basis cc-pVDZ molecule { 0 1 C -0.709089724488 0.948933557625 0.823038220813 C -1.432069718781 0.038803748751 -0.169577439119 H 1.341293190340 -1.972944212734 -0.654182955603 H -1.287315512397 1.858067671037 1.004953010235 C 0.702727554124 1.311373808340 0.320857085896 H 2.412910080497 0.240611092901 -0.489355702046 H 1.063176688455 0.350055072069 -1.594810461961 H -0.640659987189 0.434898970493 1.787377682701 C -0.702859842774 -1.311094263605 -0.321708693888 H -2.466480681314 -0.126594637923 0.141206057705 H -1.483836690158 0.545252826770 -1.138959135008 C 0.818796754962 -1.182425494383 -0.110086651391 H -1.106160426967 -2.033585845320 0.393278873867 H -0.906040028285 -1.720254153989 -1.315274966618 C 1.322501258308 0.194395746545 -0.542483480036 H 1.061460730830 -1.330503606109 0.947292693163 H 0.663485497250 2.236469873723 -0.260972898778 H 1.348092347959 1.518680508219 1.178982932665 } energy("HF")