PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
dimethyltin difluoride r
5536 Dimethyltin difluoride (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 difluoride
<Sn-F> <><F-Sn-F> <Sn-C> GR=PW91D
F 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Sn 1.98979400 +1 0.0000000 +0 0.0000000 +0 1 0 0
F 1.95783942 +1 103.8542570 +1 0.0000000 +0 2 1 0
C 2.16380500 +1 109.9449312 +1 -118.6062351 +1 2 1 3
C 2.12312212 +1 109.9783784 +1 -123.1779783 +1 2 1 4
H 1.08997187 +1 110.6090865 +1 -58.7402091 +1 4 2 1
H 1.09146741 +1 110.6142222 +1 119.6856968 +1 4 2 6
H 1.08976300 +1 110.9061616 +1 119.8689503 +1 4 2 7
H 1.09315517 +1 111.2642882 +1 60.5774345 +1 5 2 1
H 1.09474008 +1 111.2477671 +1 -119.7140452 +1 5 2 9
H 1.09305305 +1 111.4623282 +1 -119.8214957 +1 5 2 10