Accuracy
secl6(=)r
4082 SeCl6(=) (Geo)
(Previous)
(Back)
(Next)
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.
CHARGE=-2 PM7
SeCl6(=)
<Se-Cl> GR=PW91D
Se 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Cl 2.50883800 +1 0.0000000 +0 0.0000000 +0 1 0 0
Cl 2.39890521 +1 90.0684355 +1 0.0000000 +0 1 2 0
Cl 2.39039677 +1 89.9448476 +1 179.9985761 +1 1 3 2
Cl 2.39891406 +1 90.0760553 +1 -179.9519240 +1 1 2 3
Cl 2.39890864 +1 90.0782866 +1 -89.9185788 +1 1 2 5
Cl 2.39890616 +1 90.0776288 +1 -179.9524808 +1 1 2 6