PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
sn(ch3s)(me3)
5544 Sn(CH3S)(Me3)
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ΔHf: -16.1 kcal/mol, 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)
H=-16.1 HR=PW91D
Sn 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 2.13076389 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 2.13176103 +1 110.7097110 +1 0.0000000 +0 1 2 0
S 2.45724206 +1 108.0695854 +1 119.2566671 +1 1 2 3
C 2.12957900 +1 110.9361700 +1 116.6096594 +1 1 2 4
H 1.08951124 +1 111.2332419 +1 60.9510478 +1 2 1 3
H 1.09082406 +1 111.3642924 +1 120.0587482 +1 2 1 6
H 1.09021612 +1 111.5956303 +1 119.7161176 +1 2 1 7
H 1.08971108 +1 111.1986604 +1 61.9445959 +1 5 1 2
H 1.09079083 +1 111.5059924 +1 120.1685921 +1 5 1 9
H 1.09096647 +1 111.5365197 +1 119.7426475 +1 5 1 10
H 1.09039088 +1 110.8464655 +1 -60.9619869 +1 3 1 2
H 1.09017581 +1 111.5788804 +1 -119.6899094 +1 3 1 12
H 1.08969076 +1 111.8227793 +1 -120.5040407 +1 3 1 13
C 1.83507265 +1 108.0948792 +1 -99.9700202 +1 4 1 2
H 1.09257220 +1 111.6681193 +1 65.8953561 +1 15 4 1
H 1.09242755 +1 112.1494587 +1 -123.3224900 +1 15 4 16
H 1.09692885 +1 107.2448618 +1 -118.4350970 +1 15 4 17