Accuracy

v2br4r   4395 V2Br4 (Geo)

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    #  Species Formula
  4385 Silicon tetrabromide (Geo)SiBr4
  4386 Silicon tetrabromideSiBr4
  4387 Titanium tetrabromideTiBr4
  4388 vanadium(V) tetrabromide (Geo)VBr4
  4389 vanadium(V) tetrabromideVBr4
  4390 Vanadium(IV) bromideVBr4
  4391 Vanadium(IV) bromide (Geo)VBr4
  4392 V(V)Br4O(-) (BEVXIJ) (Geo)OVBr4
  4393 V(V)Br4O(-) (BEVXIJ)OVBr4
  4394 V2Br4V2Br4
  4395 V2Br4 (Geo) V2Br4
  4396 Cr(II)Br4O2(2-) (CAGCIW) (Geo)C4H8O4CrBr4
  4397 Cr(II)Br4O2(2-) (CAGCIW)C4H8O4CrBr4
  4398 Mn(II)Br4 (=) (PYDMNB) (Geo)MnBr4
  4399 Fe(III)Br4(-) (EPYMBF) (Geo)FeBr4
  4400 Fe(III)Br4(-) (EPYMBF)FeBr4
  4401 Iron dibromide, dimerFe2Br4
  4402 Co(II)Br4(2-) (BPYRBC10) (Geo)CoBr4
  4403 Cobalt(II) tetrabromide (Geo)CoBr4
  4404 Nickel(II) tetrabromide D4h (Geo)NiBr4
  4405 Nickel(II) tetrabromide D4hNiBr4


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.
  
 UHF PM7
V2Br4
 <V-V> <V-Br(ter)><> <V-Br(br)> GR=PW91D
  V     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  V     2.89346300 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Br     2.33110200 +1  138.7186018 +1    0.0000000 +0     1     2     0
 Br     2.42317700 +1   52.7008269 +1  -49.6832363 +1     1     2     3
 Br     2.55196628 +1   51.6834374 +1  134.5622480 +1     2     1     4
 Br     2.25304762 +1  136.6458030 +1 -174.2832207 +1     2     1     4