PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

ga(et)3r   3787 Triethyl gallium (Geo)

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    #  Species Formula
  3777 Zn2[S2C-NMe2]4 (Geo)C12H24N4S8Zn2
  3778 Gallium, tricationGa
  3779 Gallium, dicationGa
  3780 Gallium, cationGa
  3781 Gallium, atomGa
  3782 Gallium, anionGa
  3783 Gallium hydride (Geo)HGa
  3784 Gallium hydrideHGa
  3785 Trimethyl gallium (Geo)C3H9Ga
  3786 Trimethyl galliumC3H9Ga
  3787 Triethyl gallium (Geo) C6H15Ga
  3788 TriethylgalliumC6H15Ga
  3789 Ga(III)(C6)(+) (CUTTUG) (Geo)C12H18Ga
  3790 Ga(III)(C6)(+) (CUTTUG)C12H18Ga
  3791 TributylgalliumC12H27Ga
  3792 Gallium oxideOGa
  3793 Gallium hydroxideHOGa
  3794 Ga(III)O2C2 (BEZHAP) (Geo)C9H11O2Ga
  3795 Ga(III)O2C2 (BEZHAP)C9H11O2Ga
  3796 Ga(OH)3H3O3Ga
  3797 Ga(OH)3 (Geo)H3O3Ga


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
Triethyl gallium
 <Ga-C> GR=PW91D
 Ga     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.99955300 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.98882554 +1  119.9754637 +1    0.0000000 +0     1     2     0
  C     1.98874232 +1  120.0360243 +1  179.6392735 +1     1     2     3
  H     1.10020669 +1  107.5427532 +1 -118.7497587 +1     2     1     3
  C     1.52098919 +1  113.7772595 +1  122.8693636 +1     2     1     5
  H     1.10009175 +1  107.7057535 +1  122.9946699 +1     2     1     6
  C     1.52072545 +1  113.7575406 +1  179.7674149 +1     3     1     2
  H     1.09984596 +1  107.6880344 +1  123.0471560 +1     3     1     8
  H     1.10011197 +1  107.5001962 +1  114.0897788 +1     3     1     9
  H     1.10001531 +1  107.6001695 +1  124.8916842 +1     4     1     2
  H     1.09991871 +1  107.5834419 +1  114.0751277 +1     4     1    11
  C     1.52071628 +1  113.7742426 +1  122.9620560 +1     4     1    12
  H     1.09598124 +1  112.3705627 +1   60.3368287 +1     6     2     1
  H     1.09625977 +1  112.2660000 +1 -121.4889303 +1     6     2    14
  H     1.09851392 +1  110.6917884 +1 -119.1851317 +1     6     2    15
  H     1.09607718 +1  112.2932260 +1   62.0384074 +1     8     3     1
  H     1.09605165 +1  112.3633194 +1 -121.5802867 +1     8     3    17
  H     1.09863846 +1  110.6733237 +1 -119.2140920 +1     8     3    18
  H     1.09609082 +1  112.3111774 +1  -61.2702027 +1    13     4     1
  H     1.09615650 +1  112.3300488 +1  121.5396742 +1    13     4    20
  H     1.09857356 +1  110.6796704 +1  119.2094338 +1    13     4    21