set basis cc-pVDZ molecule { 0 1 C -0.789303320876 1.146953448090 0.499053084525 C -1.199667926506 -0.293780336688 0.813655357723 H 1.099871189887 -1.812905232263 -1.308684235636 H -1.318272598907 1.483789943006 -0.400270495036 C 0.719390489683 1.264118229077 0.268392175380 H 2.285261224874 0.360804099985 -0.925418608020 H 0.769363804744 0.588256775339 -1.778112582500 H -1.099849329108 1.812881591833 1.308748191554 C -0.719392776853 -1.264101666555 -0.268421445210 H -2.285263284594 -0.360846452453 0.925412752150 H -0.769360090345 -0.588300529773 1.778094464940 C 0.789307088011 -1.146954245549 -0.499016330237 H -0.980876162434 -2.290608116914 0.002530709667 H -1.244860415911 -1.046839200800 -1.205826684908 C 1.199664421867 0.293765741791 -0.813661501743 H 1.318245750556 -1.483760628908 0.400336302733 H 0.980869831151 2.290611661857 -0.002614323644 H 1.244894187534 1.046902156130 1.205788548332 } energy("HF")