1UnitsOutput = eV_Angstrom 2%Coordinates 3"C" | -2.04399*angstrom | -0.56014*angstrom | -0.04261*angstrom 4"C" | -3.19190*angstrom | -0.58263*angstrom | 0.92872*angstrom 5"C" | -0.80775*angstrom | -0.35642*angstrom | 0.80984*angstrom 6"C" | -1.67374*angstrom | 0.81166*angstrom | 0.41453*angstrom 7"C" | -2.83363*angstrom | 0.78896*angstrom | 1.39602*angstrom 8"C" | -2.56026*angstrom | -0.39074*angstrom | 2.29279*angstrom 9"H" | -4.21652*angstrom | -0.82283*angstrom | 0.72555*angstrom 10"H" | -3.60245*angstrom | 1.52567*angstrom | 1.51570*angstrom 11"H" | -2.06955*angstrom | -0.78081*angstrom | -1.09119*angstrom 12"H" | -1.44553*angstrom | 1.56791*angstrom | -0.30949*angstrom 13"C" | -1.08758*angstrom | -0.76027*angstrom | 2.24723*angstrom 14"H" | -3.10494*angstrom | -0.55725*angstrom | 3.20299*angstrom 15"H" | -0.93324*angstrom | -1.83123*angstrom | 2.40482*angstrom 16"H" | -0.49924*angstrom | -0.17188*angstrom | 2.95612*angstrom 17"H" | 0.18346*angstrom | -0.49284*angstrom | 0.42038*angstrom 18% 19 20 21 22StatesPack = yes 23