PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
te(vi)o6 (binfaf01)
5741 Te(VI)O6 (BINFAF01)
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ΔHf: -216.1 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
Te(VI)O6 (BINFAF01)
H=-216.1 HR=PW91D
Te 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
O 1.88416124 +1 0.0000000 +0 0.0000000 +0 1 0 0
O 1.88280272 +1 83.8227614 +1 0.0000000 +0 1 2 0
O 1.89179641 +1 99.6649779 +1 84.2157028 +1 1 2 3
O 1.88249614 +1 86.4028337 +1 178.0372886 +1 1 4 2
O 1.87999235 +1 87.0537777 +1 84.5717639 +1 1 2 4
O 1.87432946 +1 89.6071570 +1 94.3782676 +1 1 2 6
H 0.98313094 +1 116.0488446 +1 155.3598390 +1 2 1 3
H 0.98581907 +1 115.5391445 +1 -23.9457116 +1 3 1 2
H 0.97894672 +1 117.0910557 +1 -63.1656227 +1 4 1 2
H 0.98239446 +1 116.3494461 +1 -13.6053983 +1 5 1 4
H 0.98640783 +1 115.3027121 +1 -105.8346187 +1 6 1 2
H 0.99094687 +1 115.1447492 +1 -175.1440723 +1 7 1 2