Accuracy

ti_br6r   4428 Titanium(IV) hexabromide (Geo)

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    #  Species Formula
  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
  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


REF: DGAUSS using the Lee-Parr-Yang correlation functional, in CAChe 5.0, Fujitsu Ltd, 2001.
  
 CHARGE=-2 SYMMETRY PM7
Titanium(IV) hexabromide
 <Ti-Br> GR=B88_LYP
 
 Br     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Ti     2.60400000 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Br     2.60400000 +1   90.0000000 +1    0.0000000 +0     2     1     0
 Br     2.60400000 +1   90.0000000 +1  180.0000000 +1     2     3     1
 Br     2.60400000 +1   90.0000000 +1  180.0000000 +1     2     4     3
 Br     2.60400000 +1   90.0000000 +1   90.0000000 +1     2     3     4
 Br     2.60400000 +1   90.0000000 +1  -90.0000000 +1     2     3     4
 
   2  1    3    4    5    6    7