UseCaseFragmentingPropane: C3H8.xyz

File C3H8.xyz, 645 bytes (added by FrederikHeber, 11 years ago)

C3H8 - propane configuration in XYZ format

Line 
111
2 taken from a log file done with gaussian: http://140.123.79.88/~silvercy
3 C 0. 0. 0.5902
4 C 0. 1.26667 -0.2605
5 C 0. -1.26667 -0.2605
6 H -0.87415 0. 1.24549
7 H 0.87415 0. 1.24549
8 H 0. 2.16589 0.35608
9 H 0. -2.16589 0.35608
10 H 0.88059 1.30267 -0.90457
11 H -0.88059 1.30267 -0.90457
12 H -0.88059 -1.30267 -0.90457
13 H 0.88059 -1.30267 -0.90457