PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
Sn(IV)(H2O)6
5528 Sn(IV)(H2O)6
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ΔHf: 907.2 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.
CHARGE=4 PM7
Sn(IV)(H2O)6
H=907.2 HR=PW91D
Sn 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
O 2.04206555 +1 0.0000000 +0 0.0000000 +0 1 0 0
O 2.04283652 +1 88.6773218 +1 0.0000000 +0 1 2 0
O 2.04160120 +1 91.3439240 +1 179.4428096 +1 1 2 3
O 2.04216119 +1 89.4882722 +1 -178.9264704 +1 1 4 2
O 2.04252558 +1 89.9969367 +1 89.8332230 +1 1 2 3
O 2.04184535 +1 89.9081065 +1 178.6801677 +1 1 2 6
H 1.02421857 +1 129.1598868 +1 179.8619350 +1 2 1 3
H 1.02434796 +1 128.6507033 +1 -179.4282202 +1 2 1 8
H 1.02443513 +1 129.0203896 +1 -93.6880633 +1 3 1 2
H 1.02434917 +1 128.7745482 +1 -176.2595594 +1 3 1 10
H 1.02438543 +1 128.6592018 +1 87.9581579 +1 4 1 2
H 1.02405496 +1 129.0872591 +1 -176.6330258 +1 4 1 12
H 1.02410733 +1 129.1837764 +1 -175.3785806 +1 5 1 4
H 1.02450561 +1 128.6031314 +1 176.5488031 +1 5 1 14
H 1.02425712 +1 129.0372076 +1 178.4798145 +1 6 1 2
H 1.02440071 +1 128.8236537 +1 -178.7725262 +1 6 1 16
H 1.02430963 +1 128.7818539 +1 177.3287334 +1 7 1 2
H 1.02422163 +1 128.9306059 +1 -175.9259273 +1 7 1 18