|
6
|
|
Thiopropynal,^1A^\prime,CC3,aug-cc-pVTZ
|
|
C -0.00202635 0.00000000 -0.66279397
|
|
C -1.20563726 0.00000000 0.08018483
|
|
C -2.25593316 0.00000000 0.68554269
|
|
S 1.49185792 0.00000000 -0.00438674
|
|
H -0.12201234 0.00000000 -1.74026373
|
|
H -3.16296081 0.00000000 1.23407793 |