PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
sn(ch3s)(me3)r
5545 Sn(CH3S)(Me3) (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
Sn(CH3S)(Me3)
<Sn-S> <Sn-C> GR=PW91D
Sn 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 2.18622700 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 2.18679600 +1 110.5575410 +1 0.0000000 +0 1 2 0
S 2.45207688 +1 108.1340085 +1 119.2934300 +1 1 2 3
C 2.12765234 +1 110.8803058 +1 116.7805546 +1 1 2 4
H 1.08586454 +1 110.4077112 +1 60.9592393 +1 2 1 3
H 1.08693640 +1 110.6511684 +1 120.0336804 +1 2 1 6
H 1.08636902 +1 110.8817142 +1 119.7936437 +1 2 1 7
H 1.09004847 +1 111.0923022 +1 62.0178712 +1 5 1 2
H 1.09096294 +1 111.5304249 +1 120.1135104 +1 5 1 9
H 1.09110376 +1 111.5621848 +1 119.8311813 +1 5 1 10
H 1.08671313 +1 110.0672844 +1 -60.9991686 +1 3 1 2
H 1.08633486 +1 110.8724908 +1 -119.6863388 +1 3 1 12
H 1.08594396 +1 111.0982943 +1 -120.5302430 +1 3 1 13
C 1.83467910 +1 108.1072435 +1 -99.0363171 +1 4 1 2
H 1.09291501 +1 111.7468534 +1 65.6545528 +1 15 4 1
H 1.09277082 +1 112.1645205 +1 -123.2972827 +1 15 4 16
H 1.09719958 +1 107.2532898 +1 -118.4720375 +1 15 4 17