PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
bi(iii)i4(-) (picibi)
8238 Bi(III)I4(-) (PICIBI)
(Previous)
(Back)
(Next)
ΔHf: -92.9 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=-1 PM7
Bi(III)I4(-) (PICIBI)
H=-92.9 HR=PW91D
Bi 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
I 2.94303221 +1 0.0000000 +0 0.0000000 +0 1 0 0
I 2.94466233 +1 109.9901858 +1 0.0000000 +0 1 2 0
I 2.94176792 +1 109.6409337 +1 -120.8989135 +1 1 2 3
I 2.93611004 +1 109.0686221 +1 -119.2807718 +1 1 2 4