PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
bi2cl6
8248 Bi2Cl6
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ΔHf: -91.8 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.
PM7
Bi2Cl6
H=--91.8 HR=PW91D
Bi 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Bi 3.84111513 +1 0.0000000 +0 0.0000000 +0 1 0 0
Cl 2.45697700 +1 42.3657171 +1 0.0000000 +0 2 1 0
Cl 2.45683714 +1 42.3764455 +1 -179.4231967 +1 1 2 3
Cl 2.35883673 +1 116.1470316 +1 59.2386036 +1 1 2 4
Cl 2.35712400 +1 114.1135684 +1 -122.0276842 +1 1 2 5
Cl 2.35897080 +1 116.2856543 +1 58.8260902 +1 2 1 3
Cl 2.35700339 +1 113.9556001 +1 -121.9550123 +1 2 1 7