1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
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*
* 12.967
*
SYMMETRY PM7
S8
I=9.04 H=24. HR=JANAF86 IR=RDSH1977
S 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
S 2.00115324 +1 0.0000000 +0 0.0000000 +0 1 0 0
S 2.00115324 +0 114.2706647 +1 0.0000000 +0 2 1 0
S 2.00115324 +0 114.2706647 +0 90.3078309 +1 3 2 1
S 2.00115324 +0 114.2706647 +0 -90.3029278 +1 4 3 2
S 2.00115324 +0 114.2706647 +0 90.3078309 +0 5 4 3
S 2.00115324 +0 114.2706647 +0 -90.3029278 +0 6 5 4
S 2.00115324 +0 114.2706647 +0 90.3078309 +0 7 6 5
2 1 3 4 5 6 7 8
3 2 4 5 6 7 8
4 3 6 8
5 3 7
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