1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30
|
*
* -16.849
*
SYMMETRY PM7
Dimethylselenium
I=8.4 IR=LLNBS82 D=1.41 DR=MCC1974
Se 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
XX 5.00000000 +0 0.0000000 +0 0.0000000 +0 1 0 0
XX 5.00000000 +0 90.0000000 +0 0.0000000 +0 2 1 0
C 1.94533294 +1 49.3573098 +1 0.0000000 +0 1 2 3
C 1.94533294 +0 49.3573098 +0 180.0000000 +0 1 2 3
XX 5.00000000 +0 127.6000000 +0 0.0000000 +0 5 1 2
XX 5.00000000 +0 127.6000000 +0 0.0000000 +0 4 1 2
H 1.08514988 +1 105.6814320 +1 180.0000000 +0 4 1 5
H 1.08514988 +0 105.6814320 +0 180.0000000 +0 5 1 4
H 1.08258327 +1 55.1297463 +1 89.8443844 +1 4 7 1
H 1.08258327 +0 55.1297463 +0 -89.8443844 +0 4 7 1
H 1.08258327 +0 55.1297463 +0 -89.8443844 +0 5 6 1
H 1.08258327 +0 55.1297463 +0 89.8443844 +0 5 6 1
4 1 5
4 2 5
6 2 7
8 1 9
8 2 9
10 1 11 12 13
10 2 11 12 13
10 3 13
10 14 11 12
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