PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
sn(iv)o2cl4 (cimwie)
5581 Sn(IV)O2Cl4 (CIMWIE)
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ΔHf: -229.2 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.
PM7
Sn(IV)O2Cl4 (CIMWIE)
H=-229.2 HR=PW91D
Sn 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
O 2.31700034 +1 0.0000000 +0 0.0000000 +0 1 0 0
O 2.36112059 +1 104.7112869 +1 0.0000000 +0 1 2 0
Cl 2.33558069 +1 76.2217568 +1 -69.7584411 +1 1 2 3
Cl 2.33253484 +1 177.4509767 +1 -102.4794529 +1 1 2 4
H 0.96713088 +1 124.1061611 +1 2.4194459 +1 2 1 3
H 0.97149550 +1 121.0539632 +1 -145.6430932 +1 2 1 6
H 0.97434224 +1 118.5031927 +1 -117.4999261 +1 3 1 2
H 0.97431996 +1 118.4450801 +1 -130.5950054 +1 3 1 8
Cl 2.34722212 +1 76.5201676 +1 71.8615875 +1 1 2 6
Cl 2.32756450 +1 77.8768329 +1 108.1929423 +1 1 2 10