SCSD model generated from precomputed using C2v symmetry, available as xanthene
x | y | z | at |
1.198 | -0.0 | 0.6299 | C |
2.342 | -0.0 | 1.4048 | C |
3.57 | -0.0 | 0.7913 | C |
3.661 | 0.0 | -0.5981 | C |
2.5085 | 0.0 | -1.3482 | C |
1.248 | 0.0 | -0.7583 | C |
0.0 | 0.0 | -1.5722 | C |
-1.198 | -0.0 | 0.6299 | C |
-2.342 | -0.0 | 1.4048 | C |
-3.57 | -0.0 | 0.7913 | C |
-3.661 | 0.0 | -0.5981 | C |
-2.5085 | 0.0 | -1.3482 | C |
-1.248 | 0.0 | -0.7583 | C |
-0.0 | -0.0 | 1.3294 | O |