Accuracy

ga(iii)2n4c4 (dmpzga)   3842 Ga(III)2N4C4 (DMPZGA)

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    #  Species Formula
  3832 Gallium trichloride (Geo)Cl3Ga
  3833 Gallium trichlorideCl3Ga
  3834 Trichloromethyl gallium, anion (Geo)CH3Cl3Ga
  3835 Gallium trichloride-ammonia (Geo)H3NCl3Ga
  3836 Gallium trichloride - ammonia complexH3NCl3Ga
  3837 Ga(III)Cl4(-) (AMIFIL) (Geo)Cl4Ga
  3838 Ga(III)Cl4(-) (AMIFIL)Cl4Ga
  3839 Gallium tetrachloride, anion (Geo)Cl4Ga
  3840 Gallium, dimerGa2
  3841 Ga(III)2N4C4 (DMPZGA) (Geo)C14H26N4Ga2
  3842 Ga(III)2N4C4 (DMPZGA) C14H26N4Ga2
  3843 Gallium(I) oxide (Geo)OGa2
  3844 Ga(III)2N2O2C4 (BARNEO) (Geo)C10H24N2O2Ga2
  3845 Ga(III)2N2O2C4 (BARNEO)C10H24N2O2Ga2
  3846 Ga(III)2O4C4 (DMGAOX) (Geo)C6H12O4Ga2
  3847 Ga2SSGa2
  3848 Ga2Cl2H4 (Geo)H4Cl2Ga2
  3849 Gallium trichloride, dimer (Geo)Cl6Ga2
  3850 Gallium trichloride, dimerCl6Ga2
  3851 Germanium, atomGe
  3852 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