Accuracy

sebr6(=)   4434 SeBr6(=)

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    #  Species Formula
  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
  4444 Krypton sodium, cation (Geo)NaKr


ΔHf: -118.9 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.
  
 CHARGE=-2 PM7
SeBr6(=)
 H=-118.9 HR=PW91D
 Se     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Br     2.55705661 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Br     2.55721652 +1   89.9979873 +1    0.0000000 +0     1     2     0
 Br     2.55705280 +1   89.9949209 +1  179.9913808 +1     1     3     2
 Br     2.55718523 +1   90.0009576 +1 -179.9535783 +1     1     2     3
 Br     2.55721108 +1   89.9998229 +1  -89.9115501 +1     1     2     5
 Br     2.55719239 +1   89.9992973 +1 -179.9860181 +1     1     2     6