PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
tin tetramethoxide
5521 Tin tetramethoxide
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ΔHf: -162.4 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
Tin tetramethoxide
H=-162.4 HR=PW91D
Sn 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
O 1.93550302 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.39193988 +1 126.2631172 +1 0.0000000 +0 2 1 0
O 1.93561028 +1 107.7539730 +1 -36.4229221 +1 1 2 3
C 1.39185467 +1 126.2517959 +1 160.9724350 +1 4 1 2
O 1.93572076 +1 113.0912228 +1 119.0287602 +1 1 2 4
C 1.39184683 +1 126.2041293 +1 83.0868903 +1 6 1 2
O 1.93582053 +1 107.6817069 +1 118.7254026 +1 1 2 6
C 1.39186597 +1 126.2449243 +1 35.2441688 +1 8 1 2
H 1.09793258 +1 110.8383192 +1 -66.2603887 +1 3 2 1
H 1.09828423 +1 111.4273391 +1 124.0252684 +1 3 2 10
H 1.10218432 +1 103.5980837 +1 -177.2071914 +1 5 4 1
H 1.09830036 +1 111.3210399 +1 118.0733975 +1 5 4 12
H 1.09803631 +1 110.8264835 +1 -66.3215309 +1 7 6 1
H 1.10196137 +1 103.6341410 +1 -117.8750959 +1 7 6 14
H 1.09812060 +1 111.4264223 +1 -58.1765083 +1 9 8 1
H 1.09802893 +1 110.8544970 +1 124.0616227 +1 9 8 16
H 1.10211866 +1 103.6042039 +1 118.1071935 +1 3 2 11
H 1.09784555 +1 110.9612930 +1 124.0566094 +1 5 4 13
H 1.09827226 +1 111.4411670 +1 -118.1760462 +1 7 6 15
H 1.10213307 +1 103.6028493 +1 117.8016577 +1 9 8 17