PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
bi2cl4
8246 Bi2Cl4
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ΔHf: -61.4 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.
PM7
Bi2Cl4
H=-61.4 HR=PW91D
Bi 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Bi 3.36782744 +1 0.0000000 +0 0.0000000 +0 1 0 0
Cl 2.37042475 +1 92.9311435 +1 0.0000000 +0 2 1 0
Cl 2.36936594 +1 93.1711939 +1 -96.8051150 +1 2 1 3
Cl 2.36918889 +1 93.1727753 +1 175.6768654 +1 1 2 3
Cl 2.37033355 +1 92.9245055 +1 96.9930514 +1 1 2 5