Accuracy

gen2br4 (bomqoj)   4423 GeN2Br4 (BOMQOJ)

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    #  Species Formula
  4413 Cu(II)2N4Br4 (BGLXCU) (Geo)C8H16N4O4Cu2Br4
  4414 Zn(II)Br4(2-) (BEYNUO) (Geo)ZnBr4
  4415 Zn(II)Br4(2-) (BEYNUO)ZnBr4
  4416 Ga(III)Br4(-) (AGOGAE) (Geo)GaBr4
  4417 Ga(III)Br4(-) (AGOGAE)GaBr4
  4418 Ga(III)2N2Br4 (BAWVEA) (Geo)C10H10N2Ga2Br4
  4419 Ga(III)2N2Br4 (BAWVEA)C10H10N2Ga2Br4
  4420 Germanium tetrabromide (Geo)GeBr4
  4421 Germanium tetrabromideGeBr4
  4422 GeN2Br4 (BOMQOJ) (Geo)C14H18N2GeBr4
  4423 GeN2Br4 (BOMQOJ) C14H18N2GeBr4
  4424 HexabromoethaneC2Br6
  4425 Al2Br6 (Geo)Al2Br6
  4426 Aluminum tribromide dimerAl2Br6
  4427 Sulfur hexabromide (Geo)SBr6
  4428 Titanium(IV) hexabromide (Geo)TiBr6
  4429 Vanadium(V) hexabromide (Geo)VBr6
  4430 Cr(III)Br6(3-) (YIBWOV) (Geo)CrBr6
  4431 Gallium tribromide, dimer (Geo)Ga2Br6
  4432 Ge2Br6C (COJLOC) (Geo)C3H4O2Ge2Br6
  4433 Ge2Br6C (COJLOC)C3H4O2Ge2Br6


ΔHf: -60.8 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
GeN2Br4 (BOMQOJ)
 H=-60.8 HR=PW91D
 Ge     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Br     2.39837367 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     2.10710113 +1  101.1870319 +1    0.0000000 +0     1     2     0
  C     1.35076150 +1  120.5307808 +1   -3.5377918 +1     3     1     2
  H     1.09894556 +1  117.7613154 +1   -0.4327271 +1     4     3     1
  C     1.40249304 +1  122.0894610 +1 -179.8760303 +1     4     3     5
  H     2.16706317 +1   92.3379734 +1  179.0271613 +1     6     4     3
  H     1.76645719 +1   65.3591935 +1 -148.8119804 +1     7     6     4
  C     1.10117043 +1   36.6444228 +1  -35.6049580 +1     8     7     6
  C     1.39437613 +1  118.7894137 +1 -178.8739195 +1     6     4     7
  H     1.08886901 +1  120.3841347 +1  179.9588100 +1    10     6     4
  C     1.39426823 +1  119.2350996 +1  179.9942772 +1    10     6    11
  C     1.48561867 +1  121.0300384 +1 -179.9928378 +1    12    10     6
  H     1.10067908 +1  112.9868680 +1 -178.9013187 +1    13    12    10
  H     1.10128922 +1  111.5692662 +1  120.2352138 +1    13    12    14
  C     1.35069827 +1  120.4639128 +1  179.7825606 +1     3     1     4
  H     1.09891476 +1  117.7830157 +1    0.0218746 +1    16     3     1
 Br     2.39920842 +1   92.0878943 +1   79.0377737 +1     1     2     3
 Br     2.39882574 +1   92.2314261 +1 -158.0654962 +1     1    18     2
 Br     2.39922714 +1   92.2294424 +1  -76.0141241 +1     1     2     5
  H     1.10158453 +1  107.0559547 +1 -113.9458446 +1     9     8     7
  H     1.10148008 +1  111.4750073 +1  119.6259946 +1    13    12    15
  N     2.10762485 +1   78.8377307 +1 -100.9350454 +1     1     2    20
  C     1.35070395 +1  120.4896241 +1   89.9496473 +1    23     1     2
  H     1.09894029 +1  117.7703743 +1   -0.1225694 +1    24    23     1
  C     1.40249581 +1  122.1041278 +1  179.9881254 +1    24    23    25
  C     1.48560432 +1  120.1964218 +1 -179.9388700 +1    26    24    23
  H     1.10072200 +1  112.9862666 +1   -0.6961709 +1    27    26    24
  H     1.10142401 +1  111.4935044 +1  120.1649219 +1    27    26    28
  H     1.10130469 +1  111.5514953 +1  119.6136360 +1    27    26    29
  C     1.39428773 +1  118.7842177 +1  179.9650900 +1    26    24    27
  H     1.08887257 +1  120.3821745 +1 -179.9895581 +1    31    26    24
  C     1.39433985 +1  119.2342744 +1  179.9941644 +1    31    26    32
  C     1.48558096 +1  121.0145786 +1 -179.9764188 +1    33    31    26
  H     1.10068753 +1  112.9991378 +1 -179.4053249 +1    34    33    31
  H     1.10140792 +1  111.4939282 +1 -120.1746903 +1    34    33    35
  H     1.10132503 +1  111.5449953 +1 -119.6087260 +1    34    33    36
  C     1.35068818 +1  120.5180284 +1  179.9004193 +1    23     1    24
  H     1.09890974 +1  117.7802084 +1    0.1102849 +1    38    23     1