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

ga(iii)2n4c4 (dmpzga)   3844 Ga(III)2N4C4 (DMPZGA)

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    #  Species Formula
  3834 Gallium trichloride (Geo)Cl3Ga
  3835 Gallium trichlorideCl3Ga
  3836 Trichloromethyl gallium, anion (Geo)CH3Cl3Ga
  3837 Gallium trichloride-ammonia (Geo)H3NCl3Ga
  3838 Gallium trichloride - ammonia complexH3NCl3Ga
  3839 Ga(III)Cl4(-) (AMIFIL) (Geo)Cl4Ga
  3840 Ga(III)Cl4(-) (AMIFIL)Cl4Ga
  3841 Gallium tetrachloride, anion (Geo)Cl4Ga
  3842 Gallium, dimerGa2
  3843 Ga(III)2N4C4 (DMPZGA) (Geo)C14H26N4Ga2
  3844 Ga(III)2N4C4 (DMPZGA) C14H26N4Ga2
  3845 Gallium(I) oxide (Geo)OGa2
  3846 Ga(III)2N2O2C4 (BARNEO) (Geo)C10H24N2O2Ga2
  3847 Ga(III)2N2O2C4 (BARNEO)C10H24N2O2Ga2
  3848 Ga(III)2O4C4 (DMGAOX) (Geo)C6H12O4Ga2
  3849 Ga2SSGa2
  3850 Ga2Cl2H4 (Geo)H4Cl2Ga2
  3851 Gallium trichloride, dimer (Geo)Cl6Ga2
  3852 Gallium trichloride, dimerCl6Ga2
  3853 Germanium, atomGe
  3854 Germane (Geo)H4Ge


ΔHf: -17.7 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)2N4C4 (DMPZGA)
 H=-17.7 HR=PW91D
 Ga     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Ga     3.68158942 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.98064459 +1  116.4933620 +1    0.0000000 +0     2     1     0
  N     2.00270419 +1   54.6342154 +1   87.5161541 +1     1     2     3
  C     3.38815296 +1  102.0151483 +1  -90.2488546 +1     2     1     3
  C     1.97956272 +1  112.7713414 +1   91.8172974 +1     1     2     4
  C     1.98100823 +1  117.3588452 +1  179.9283280 +1     1     2     6
  H     2.97717661 +1  109.1319741 +1    2.8268320 +1     5     2     1
  H     2.84018214 +1   82.6843773 +1 -161.4874525 +1     4     1     2
  H     1.77026020 +1   92.5750170 +1 -148.2085638 +1     9     4     1
  H     1.77629401 +1   73.7110527 +1   57.5742679 +1     9     4    10
  H     1.10300815 +1   72.6125376 +1 -127.8920759 +1     5     2     8
  H     1.10289062 +1   79.7471701 +1 -111.8621148 +1     5     2    12
  H     1.10067604 +1  172.8661718 +1 -161.3418771 +1     5     2    13
  H     1.08903178 +1  109.4457569 +1   11.2826184 +1     6     1     2
  H     1.08599400 +1  110.6618105 +1  119.9398463 +1     6     1    15
  H     1.08657863 +1  110.4138283 +1  120.7708654 +1     6     1    16
  H     1.08811659 +1  109.8768918 +1   58.2218092 +1     7     1     2
  H     1.08580132 +1  110.7327518 +1  120.6511748 +1     7     1    18
  H     1.08808904 +1  109.9025773 +1  120.6493358 +1     7     1    19
  N     1.36389440 +1  125.2723133 +1  164.0639321 +1     4     1     9
  N     2.00239953 +1   54.6760654 +1  -88.2478732 +1     1     2     7
  C     1.37553146 +1  126.1961929 +1 -179.8879835 +1    22     1     2
  N     1.36378457 +1  125.2267328 +1 -179.6837203 +1    22     1    23
  C     1.98025588 +1  113.9508256 +1  -89.9429557 +1     2     1     5
  C     1.40979912 +1  108.7727902 +1 -179.6837589 +1    23    22     1
  C     1.47580105 +1  123.4362116 +1 -179.7392736 +1    23    22    26
  C     1.37568829 +1  108.6163882 +1  179.6890673 +1    24    22     1
  H     1.08839876 +1  109.7564119 +1   46.9582452 +1     3     2     1
  H     1.08772308 +1  110.0160904 +1 -118.7810204 +1     3     2    29
  H     1.08577150 +1  110.7132407 +1 -120.6492265 +1     3     2    30
  H     1.08799778 +1  109.9076670 +1  -63.0345279 +1    25     2     1
  H     1.08583363 +1  110.7022691 +1 -120.5686079 +1    25     2    32
  H     1.08812870 +1  109.8716030 +1 -120.5814662 +1    25     2    33
  H     1.06320851 +1  127.3779683 +1  179.9824986 +1    26    23    22
  H     1.10281207 +1  112.1957086 +1  -57.9039019 +1    27    23    22
  H     1.10281065 +1  111.8617082 +1  120.6777813 +1    27    23    36
  H     1.10072338 +1  111.2980803 +1  119.5717860 +1    27    23    37
  C     1.47573047 +1  123.3956483 +1 -179.9782296 +1    28    24    22
  H     1.10289474 +1  111.9627560 +1  -61.9740676 +1    39    28    24
  H     1.10057811 +1  111.3537453 +1 -119.6916333 +1    39    28    40
  H     1.10317120 +1  112.0399316 +1 -119.7029349 +1    39    28    41
  C     1.37557731 +1  126.0827206 +1  176.7706110 +1     4     1    21
  C     1.06331688 +1   58.8203903 +1   -1.1225524 +1     8     5     2
  C     1.10254320 +1   36.3698493 +1  -64.1385880 +1    11     9     4
  C     1.37583813 +1  108.5993293 +1  177.2804253 +1    21     4     1