PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
hg(ii)cl4(2-) (begziw)
7940 Hg(II)Cl4(2-) (BEGZIW)
(Previous)
(Back)
(Next)
ΔHf: -144.8 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.
CHARGE=-2 PM7
Hg(II)Cl4(2-) (BEGZIW)
H=-144.8 HR=PW91D
Hg 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Cl 2.42407437 +1 0.0000000 +0 0.0000000 +0 1 0 0
Cl 2.42479249 +1 109.4564181 +1 0.0000000 +0 1 2 0
Cl 2.42427622 +1 109.6711953 +1 119.9979030 +1 1 2 3
Cl 2.42457005 +1 109.3413026 +1 119.9830113 +1 1 2 4