Geometry
Geometry Optimization
tensormol02
Energy: -477.98703852106314 Ha
1 S -0.428966 0.001752 -1.485688
2 C -0.428967 -0.000621 -3.355042
3 H 0.605263 -0.016682 -3.676516
4 H -0.960531 -0.887454 -3.676484
5 H -0.931630 0.903882 -3.676557
6 C -0.428965 -0.000621 0.383666
7 H -1.463195 -0.016682 0.705140
8 H 0.102599 -0.887454 0.705108
9 H 0.073698 0.903882 0.705181
of 2
dimethyl sulphide
Atomic Coordinates
indices
1 S -0.428966 0.000000 -1.485688
2 C -0.428966 0.000000 -3.305688
3 H 0.591726 -0.008907 -3.704708
4 H -0.947026 -0.879491 -3.704708
5 H -0.931598 0.888399 -3.704708
6 C -0.428966 0.000000 0.334312
7 H -1.449658 -0.008907 0.733332
8 H 0.089094 -0.879491 0.733332
9 H 0.073666 0.888399 0.733332