PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
inme3r
5414 Trimethyl indium (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
Trimethyl indium
<In-C> GR=PW91D
In 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 2.21385700 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 2.15773272 +1 119.8841010 +1 0.0000000 +0 1 2 0
C 2.15770247 +1 119.8741709 +1 179.0784164 +1 1 2 3
H 1.08382532 +1 110.5291730 +1 152.1985522 +1 2 1 3
H 1.08474984 +1 109.3963194 +1 119.6669730 +1 2 1 5
H 1.08388463 +1 110.4916143 +1 119.6232890 +1 2 1 6
H 1.08868699 +1 110.0340355 +1 88.9174552 +1 3 1 2
H 1.08756816 +1 111.2692027 +1 119.6280826 +1 3 1 8
H 1.08768479 +1 111.2185465 +1 120.7904656 +1 3 1 9
H 1.08757756 +1 111.2708367 +1 151.8285437 +1 4 1 2
H 1.08866571 +1 110.0386031 +1 119.6319300 +1 4 1 11
H 1.08766350 +1 111.2204681 +1 119.5743288 +1 4 1 12