PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

ti_br6r   4430 Titanium(IV) hexabromide (Geo)

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    #  Species Formula
  4420 Ga(III)2N2Br4 (BAWVEA) (Geo)C10H10N2Ga2Br4
  4421 Ga(III)2N2Br4 (BAWVEA)C10H10N2Ga2Br4
  4422 Germanium tetrabromide (Geo)GeBr4
  4423 Germanium tetrabromideGeBr4
  4424 GeN2Br4 (BOMQOJ) (Geo)C14H18N2GeBr4
  4425 GeN2Br4 (BOMQOJ)C14H18N2GeBr4
  4426 HexabromoethaneC2Br6
  4427 Al2Br6 (Geo)Al2Br6
  4428 Aluminum tribromide dimerAl2Br6
  4429 Sulfur hexabromide (Geo)SBr6
  4430 Titanium(IV) hexabromide (Geo) TiBr6
  4431 Vanadium(V) hexabromide (Geo)VBr6
  4432 Cr(III)Br6(3-) (YIBWOV) (Geo)CrBr6
  4433 Gallium tribromide, dimer (Geo)Ga2Br6
  4434 Ge2Br6C (COJLOC) (Geo)C3H4O2Ge2Br6
  4435 Ge2Br6C (COJLOC)C3H4O2Ge2Br6
  4436 SeBr6(=)SeBr6
  4437 SeBr6(=) (Geo)SeBr6
  4438 As(III)Br5(2-) (CODDEE) (Geo)As2Br8
  4439 As(III)Br5(2-) (CODDEE)As2Br8
  4440 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