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

sebr6(=)r   4437 SeBr6(=) (Geo)

(Previous)     (Back)     (Next)        

   

    #  Species Formula
  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
  4441 Cu(II)4Br10(2-) (CIVNAW10)Cu4Br10
  4442 Cu(II)4Br10(2-) (CIVNAW10)Cu4Br10
  4443 Krypton, atomKr
  4444 Krypton Lithium, cation (Geo)LiKr
  4445 Krypton fluoride anion (Geo)FKr
  4446 Krypton sodium, cation (Geo)NaKr
  4447 Krypton chloride, anion (Geo)ClKr


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(=)
 <Se-Br> GR=PW91D
 Se     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Br     2.67829400 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Br     2.54944881 +1   89.4201942 +1    0.0000000 +0     1     2     0
 Br     2.53549774 +1   90.4518430 +1 -179.9998238 +1     1     3     2
 Br     2.54918903 +1   89.4120565 +1 -179.9961225 +1     1     2     3
 Br     2.54924169 +1   89.2922035 +1  -89.9707738 +1     1     2     5
 Br     2.54926951 +1   89.2943713 +1  179.9878696 +1     1     2     6