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

ga(iii)(edta) (edtaga01)   3807 Ga(III)(EDTA) (EDTAGA01)

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    #  Species Formula
  3797 Ga(OH)3 (Geo)H3O3Ga
  3798 Trimethoxy gallium (Geo)C3H9O3Ga
  3799 Trimethoxy galliumC3H9O3Ga
  3800 Ga(III)O6 (ACACGA) (Geo)C15H21O6Ga
  3801 Ga(III)O6 (ACACGA)C15H21O6Ga
  3802 Ga(III)(ortho-C6H4O2)3(3-)C18H12O6Ga
  3803 Ga(III)(ortho-C6H4O2)3(3-) (Geo)C18H12O6Ga
  3804 Gallium (III) EDTA (Geo)C10H12N2O8Ga
  3805 Gallium (III) EDTAC10H12N2O8Ga
  3806 Ga(III)(EDTA) (EDTAGA01) (Geo)C10H15N2O9Ga
  3807 Ga(III)(EDTA) (EDTAGA01) C10H15N2O9Ga
  3808 Ga(III)O6(3-) (COKFIR) (Geo)C6O12Ga
  3809 Ga(III)O6(3-) (COKFIR)C6O12Ga
  3810 Gallium fluoride (Geo)FGa
  3811 Gallium fluorideFGa
  3812 Ga(III)C2F2(-) (CUPQUZ) (Geo)C2H6F2Ga
  3813 Ga(III)C2F2(-) (CUPQUZ)C2H6F2Ga
  3814 [Ga(III)F2.(Me2N)](+)C2H6NF2Ga
  3815 [Ga(III)F2.(Me2N)](+) (Geo)C2H6NF2Ga
  3816 Gallium trifluoride (Geo)F3Ga
  3817 Gallium trifluorideF3Ga


ΔHf: -430.0 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
Ga(III)(EDTA) (EDTAGA01)
 H=-430 HR=PW91D
 Ga     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     1.92125778 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.06642780 +1   78.1751975 +1    0.0000000 +0     1     2     0
  N     2.09856329 +1   80.6048025 +1 -158.6496874 +1     1     2     3
  O     3.56770546 +1   83.2084276 +1  112.1830813 +1     4     1     2
  O     1.90555309 +1   95.4174236 +1 -124.5189363 +1     1     2     4
  O     2.20954194 +1  148.4056349 +1  154.4483077 +1     6     1     2
  O     5.84194954 +1   65.2867610 +1 -176.2589332 +1     3     1     2
  O     2.23355216 +1   89.5157231 +1  -13.3805001 +1     8     3     1
  N     2.15480804 +1  156.7120666 +1   78.5691969 +1     1     2     6
  C     1.29613074 +1  120.0458169 +1  173.5731851 +1     2     1     3
  C     1.48929332 +1  107.7447973 +1 -138.2362116 +1     4     1     5
  C     1.20696959 +1   21.4181155 +1  -20.7843758 +1     5     4     1
  C     1.49472683 +1  105.8795911 +1  118.2733167 +1     4     1    12
  C     1.49656127 +1  109.4586615 +1  119.7848868 +1     4     1    14
  C     1.50093651 +1  108.0515606 +1   57.4496930 +1    10     1     2
  C     1.20486833 +1   29.2657646 +1   -8.8375679 +1     7     6     1
  C     1.49174799 +1  107.7564005 +1 -119.9234507 +1    10     1    16
  C     1.20389643 +1   30.7980095 +1    4.9988271 +1     9     8     3
  C     1.49144245 +1  109.1017540 +1 -119.6433029 +1    10     1    18
  H     0.99416666 +1  174.3069299 +1  -47.5499982 +1     8     3     9
  H     0.99733525 +1  103.5499576 +1 -111.8113662 +1     3     1     8
  H     0.99210511 +1  104.8000982 +1 -107.3529778 +1     3     1    22
  H     1.11080953 +1  111.8228888 +1  -86.2011125 +1    12     4     1
  H     1.10739681 +1  113.4261446 +1 -120.5782350 +1    12     4    24
  H     1.11603491 +1  111.0073055 +1  -90.8485394 +1    14     4     1
  H     1.10784219 +1  113.0127897 +1 -119.2125692 +1    14     4    26
  H     1.11178282 +1  112.0274663 +1 -161.2194060 +1    15     4     1
  H     1.11411539 +1  109.4510165 +1 -117.4794284 +1    15     4    28
  H     1.11590379 +1  109.4609230 +1   84.6621913 +1    16    10     1
  H     1.11529946 +1  111.9127863 +1  116.6684145 +1    16    10    30
  H     1.11091117 +1  113.3970078 +1 -148.7959815 +1    18    10     1
  H     1.11081392 +1  111.8597300 +1 -118.5618327 +1    18    10    32
  H     1.13242010 +1  109.8863906 +1  -52.6686890 +1    20    10     1
  H     1.12310937 +1  109.5104216 +1  113.5748478 +1    20    10    34
  O     1.20452913 +1  124.7354993 +1 -179.5974910 +1    11     2     1
  O     1.30041605 +1  123.5075774 +1  149.7891431 +1    13     5     4