Accuracy
ga(ome)3r
3796 Trimethoxy gallium (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
Trimethoxy gallium
<Ga-O> GR=PW91D
Ga 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
O 1.80807400 +1 0.0000000 +0 0.0000000 +0 1 0 0
O 1.82560332 +1 127.2110180 +1 0.0000000 +0 1 2 0
O 1.82128826 +1 115.8653464 +1 -179.7893890 +1 1 2 3
C 1.39894529 +1 118.7871887 +1 1.9177283 +1 2 1 3
C 1.39620146 +1 119.8968230 +1 1.7853915 +1 3 1 2
C 1.40432332 +1 116.6691631 +1 -179.1901930 +1 4 1 2
H 1.09576175 +1 111.8319979 +1 62.5293755 +1 5 2 1
H 1.10364145 +1 102.9236882 +1 117.1984678 +1 5 2 8
H 1.09579016 +1 111.7819244 +1 117.1752692 +1 5 2 9
H 1.10305013 +1 103.3414304 +1 -179.6904216 +1 6 3 1
H 1.09606594 +1 111.6343226 +1 117.3451398 +1 6 3 11
H 1.09602561 +1 111.5774049 +1 125.3003738 +1 6 3 12
H 1.09605912 +1 111.9625735 +1 -59.9017922 +1 7 4 1
H 1.10228574 +1 102.9015876 +1 -117.8561067 +1 7 4 14
H 1.09645585 +1 111.4422191 +1 -117.5609582 +1 7 4 15