Geometry
Geometry Optimization
tensormol02
Energy: -552.9731833983649 Ha
1 C 1.228576 0.122823 0.000000
2 C 0.914137 -1.192852 0.000000
3 C -0.489757 -1.420798 0.000000
4 C -1.204314 -0.272199 0.000000
5 S -0.182329 1.122968 0.000000
6 H 2.198659 0.596567 0.000000
7 H 1.642580 -1.991494 0.000000
8 H -0.928099 -2.408884 0.000000
9 H -2.274453 -0.129732 0.000000
of 2
Thiophene
Atomic Coordinates
indices
1 C 1.226800 0.146600 0.000000
2 C 0.919900 -1.184200 0.000000
3 C -0.497800 -1.414400 0.000000
4 C -1.210200 -0.249100 0.000000
5 S -0.184800 1.137800 0.000000
6 H 2.231000 0.566500 0.000000
7 H 1.648900 -1.994600 0.000000
8 H -0.933200 -2.413700 0.000000
9 H -2.295600 -0.168500 0.000000