PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
Te(OH)6r
5739 Telluric acid (Te(OH)6) (Geo)
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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
Telluric acid (Te(OH)6)
<Te-O> GR=PW91D
Te 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
O 2.00193000 +1 0.0000000 +0 0.0000000 +0 1 0 0
O 1.87893686 +1 82.6413504 +1 0.0000000 +0 1 2 0
O 1.87191576 +1 167.1724315 +1 -87.5448132 +1 1 2 3
O 1.88112548 +1 84.2609828 +1 166.2317778 +1 1 2 3
O 1.88537609 +1 102.6946985 +1 -81.6070174 +1 1 2 5
O 1.88207446 +1 83.4017613 +1 178.0156934 +1 1 2 6
H 0.96575285 +1 115.3921841 +1 -150.9454882 +1 2 1 3
H 0.99070499 +1 114.9889694 +1 -5.1894343 +1 3 1 2
H 0.99294578 +1 115.0057695 +1 -176.1132233 +1 4 1 6
H 0.98862289 +1 115.3153031 +1 -122.1589646 +1 5 1 2
H 0.98369774 +1 116.2118292 +1 -113.1076104 +1 6 1 2
H 0.98715514 +1 115.7246449 +1 -8.9223519 +1 7 1 2