5 XYZ file generated by Avogadro. C -2.23209 1.11879 -0.00000 H -1.43210 0.87042 0.66574 H -1.90949 1.88312 -0.67574 H -2.51738 0.24944 -0.55475 H -3.06940 1.47217 0.56475