Geometry
Geometry Optimization
tensormol02
Energy: -115.87156477289543 Ha
1 C -0.086434 1.428673 0.000000
2 H 0.271302 2.436721 0.000000
3 C -1.194338 0.842997 0.000000
4 H -2.219465 1.200633 0.000000
5 C -1.367854 -0.954393 0.000000
6 H 2.167209 1.428680 0.000000
of 2
benzene
Atomic Coordinates
indices
1 C 0.000000 1.402720 0.000000
2 H 0.000000 2.490290 0.000000
3 C -1.214790 0.701360 0.000000
4 H -2.156660 1.245150 0.000000
5 C -1.214790 -0.701360 0.000000
6 H 2.156660 1.245150 0.000000