PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
cd(ch3s)2r
5373 Cd(CH3S)2 (Geo)
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REF: Estimated from DGauss results of DFT calculations, using the B88-PW91 functional and the DZVP basis set, in CAChe 6.0, Fujitsu Ltd, 2003.
SHIFT=80 PM7
Cd(CH3S)2
<Cd-S> GR=PW91D
Cd 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
S 2.41504400 +1 0.0000000 +0 0.0000000 +0 1 0 0
S 2.33074011 +1 178.8605252 +1 0.0000000 +0 1 2 0
C 1.83973505 +1 103.3387326 +1 133.1407615 +1 2 1 3
C 1.84572196 +1 103.2547215 +1 110.0217756 +1 3 1 4
H 1.09241451 +1 113.5321048 +1 -44.2539888 +1 4 2 1
H 1.09427044 +1 111.1516726 +1 123.5613228 +1 4 2 6
H 1.09765162 +1 106.9554549 +1 117.7069810 +1 4 2 7
H 1.09346040 +1 114.7528122 +1 20.0484092 +1 5 3 1
H 1.09566053 +1 109.7176702 +1 -122.5074674 +1 5 3 9
H 1.09717696 +1 107.6124338 +1 -117.6643878 +1 5 3 10