summaryrefslogtreecommitdiff
path: root/sim/src/tests/floppy_organics/test_C5H12a.xyzcmp
blob: 83a7907ffae87bd1cda09f75589f60189a0790e1 (plain)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
17
C5H12a.mmp
C 0.266000 0.124000 -0.007000
C -0.292000 -1.303000 0.015000
C -0.821000 1.209000 -0.028000
C 0.790000 -2.384000 -0.085000
C -0.257000 2.628000 0.083000
H 0.913000 0.271000 0.870000
H 0.917000 0.249000 -0.885000
H -1.008000 -1.427000 -0.807000
H -0.867000 -1.446000 0.941000
H -1.402000 1.115000 -0.957000
H -1.530000 1.031000 0.791000
H 0.356000 -3.387000 -0.016000
H 1.530000 -2.285000 0.717000
H 1.327000 -2.319000 -1.039000
H -1.045000 3.387000 0.015000
H 0.466000 2.831000 -0.715000
H 0.259000 2.773000 1.039000