PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
dimethyltin dibromide r
5595 Dimethyltin dibromide (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.
PM7
Dimethyltin dibromide
<Sn-Br> <> <Br-Sn-Br> <Sn-C> GR=PW91D
Br 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Sn 2.54091000 +1 0.0000000 +0 0.0000000 +0 1 0 0
Br 2.39631684 +1 106.3576500 +1 0.0000000 +0 2 1 0
C 2.17191800 +1 108.6316654 +1 -117.6372730 +1 2 1 3
C 2.11199541 +1 108.7545622 +1 -124.2601322 +1 2 1 4
H 1.08906818 +1 111.0502788 +1 -53.7492528 +1 4 2 1
H 1.08921255 +1 111.5919949 +1 119.9213730 +1 4 2 6
H 1.08853080 +1 111.0848398 +1 120.1385189 +1 4 2 7
H 1.09352291 +1 111.8070763 +1 55.4673119 +1 5 2 1
H 1.09362065 +1 112.4187108 +1 -119.9526153 +1 5 2 9
H 1.09301682 +1 111.8644998 +1 -120.1729705 +1 5 2 10