Accuracy

Ge2Br6C (COJLOC)   4433 Ge2Br6C (COJLOC)

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    #  Species Formula
  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
  4434 SeBr6(=)SeBr6
  4435 SeBr6(=) (Geo)SeBr6
  4436 As(III)Br5(2-) (CODDEE) (Geo)As2Br8
  4437 As(III)Br5(2-) (CODDEE)As2Br8
  4438 Cu(II)4Br10(2-) (CIVNAW10) (Geo)Cu4Br10
  4439 Cu(II)4Br10(2-) (CIVNAW10)Cu4Br10
  4440 Cu(II)4Br10(2-) (CIVNAW10)Cu4Br10
  4441 Krypton, atomKr
  4442 Krypton Lithium, cation (Geo)LiKr
  4443 Krypton fluoride anion (Geo)FKr


ΔHf: -173.2 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
Ge2Br6C (COJLOC)
 H=-173.2 HR=PW91D
 Ge     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Br     2.30720162 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Br     2.31280409 +1  107.8305718 +1    0.0000000 +0     1     2     0
  C     1.91485885 +1  110.1691464 +1  118.7065891 +1     1     2     3
 Br     3.49835753 +1   80.3002794 +1  -57.2721982 +1     4     1     2
 Br     3.52748333 +1  101.8941060 +1  -60.9157017 +1     4     1     5
 Br     3.43712012 +1  145.2806679 +1   61.6332651 +1     4     1     6
  O     2.97302147 +1  118.2736353 +1  153.5951478 +1     4     1     7
  O     2.19365674 +1   81.9209088 +1   49.5311180 +1     8     4     1
  C     1.50566613 +1  111.5559079 +1   60.4338651 +1     4     1     8
  C     1.36184138 +1   56.1921911 +1   13.9563148 +1     8     4     9
  H     0.98058642 +1   69.1790380 +1  144.5454253 +1     8     4    11
  H     1.11611797 +1  106.2878472 +1 -123.2790555 +1     4     1    10
  H     1.11974788 +1  112.5825473 +1   38.5599108 +1    10     4     1
  H     1.11684586 +1  112.9210931 +1  116.3893556 +1    10     4    14
 XX     1.09000000 +1   87.2391510 +1   94.0453280 +1    11     8     4
 Ge     1.91351864 +1  109.8285064 +1 -114.9823104 +1     4     1    13
 Br     2.29410835 +1  107.0778315 +1  125.9296116 +1     1     2     4