Accuracy
se(oh)6r
4062 Selenic acid (Se(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
Selenic acid (Se(OH)6)
<Se-O> GR=PW91D
Se 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
O 1.86098200 +1 0.0000000 +0 0.0000000 +0 1 0 0
O 1.80024505 +1 87.0568796 +1 0.0000000 +0 1 2 0
O 1.79325277 +1 179.9398354 +1 -92.0571534 +1 1 2 3
O 1.79121989 +1 88.1091492 +1 178.1590681 +1 1 2 3
O 1.80048139 +1 92.0393840 +1 -88.6600399 +1 1 2 5
O 1.79083813 +1 90.7364480 +1 -178.6963030 +1 1 2 6
H 0.95732063 +1 106.5175664 +1 -161.0659913 +1 2 1 3
H 0.95992385 +1 107.6216037 +1 30.4077660 +1 3 1 2
H 0.95944930 +1 108.6406404 +1 109.6458158 +1 4 1 5
H 0.96335201 +1 106.8229691 +1 -136.6097740 +1 5 1 2
H 0.95898681 +1 107.9521516 +1 -144.1658889 +1 6 1 2
H 0.96348760 +1 106.7152677 +1 40.7048592 +1 7 1 2