PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
inh3-gah3r
5464 InH3-GaH3, complex (Geo)
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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
InH3-GaH3, complex
<In-Ga> GR=PW91D
In 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Ga 2.81189100 +1 0.0000000 +0 0.0000000 +0 1 0 0
H 1.72471373 +1 122.9192312 +1 0.0000000 +0 1 2 0
H 1.72846046 +1 45.4949488 +1 -90.1144696 +1 2 1 3
H 1.54154428 +1 121.6425794 +1 -89.9633510 +1 2 1 4
H 1.72739743 +1 45.5430166 +1 -90.0236351 +1 2 1 5
H 1.72469998 +1 122.8701297 +1 -179.8408740 +1 1 2 3
H 1.54156271 +1 121.6454202 +1 -90.0623734 +1 2 1 6