PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
cro2cl2r
3213 Chromium(VI) dichloride dioxide (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.
PULAY SYMMETRY PM7
Chromium(VI) dichloride dioxide
<Cr-Cl> <Cr=O> GR=PW91D
Cr 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Cl 2.13262700 +1 0.0000000 +0 0.0000000 +0 1 0 0
O 1.58178300 +1 108.2485756 +1 0.0000000 +0 1 2 0
O 1.58178300 +0 108.1838886 +1 126.2877498 +1 1 2 3
Cl 2.13262700 +0 107.3361689 +1 116.8502760 +1 1 2 4