PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
indium trifluoride
5440 Indium trifluoride
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ΔHf: -177.5 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
Indium trifluoride
H=-177.5 HR=PW91D
In 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
F 1.90942528 +1 0.0000000 +0 0.0000000 +0 1 0 0
F 1.90943036 +1 119.8982726 +1 0.0000000 +0 1 2 0
F 1.90938291 +1 120.1178832 +1 180.0000002 +1 1 2 3