chp.zmat

CHP

1   NCO  
2   CO     1   1.34
3   OC     2   1.22    1   123.1
4   CT1    1   1.46    2   124.2    3      0.0
5   CT2    1   1.44    2   111.0    3    187.0
6   C2H    5   1.53    1   102.1    2    342.0
7   H      5   1.11    1   114.0    2    223.8
8   H      5   1.11    1   108.3    2    100.0
9   H      4   1.11    1   109.8    2      3.5
10  C2H    4   1.54    1   110.6    2    244.5
11  C2H    4   1.54    1   110.7    2    122.0
12  C2H    2   1.48    1   112.9    3    170.0
13  H      6   1.11    5   104.6    1    280.0
14  H      6   1.11    5   116.8    1    160.0
15  H     12   1.11    2   107.5    1    260.0
16  H     12   1.11    2   115.1    1    135.0
17  H     11   1.11    4   109.7    1    300.0
18  C2H   11   1.53    4   110.4    1    180.0
19  H     11   1.11    4   110.2    1     60.0
20  H     18   1.11   11   109.5    4     60.0
21  C2H   18   1.53   11   110.3    4    300.0
22  H     18   1.11   11   109.6    4    180.0
23  C2H   21   1.53   18   110.2   11     60.0
24  H     21   1.11   18   109.4   11    300.0
25  H     21   1.11   18   109.6   11    180.0
26  H     10   1.11    4   109.7    1     60.0
27  H     10   1.11    4   110.0    1    300.0
28  H     23   1.11   21   109.7   18    180.0
29  H     23   1.11   21   109.4   18     60.0

connect  6 12
connect 10 23

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