Accuracy

sef6(=)   4071 SeF6(=) (Geo)

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    #  Species Formula
  4061 Selenium trioxide (Geo)O3Se
  4062 Selenic acid (Se(OH)6) (Geo)H6O6Se
  4063 Selenium fluorideFSe
  4064 Selenocarbonyl difluoride (Geo)CF2Se
  4065 Selenyl fluoride (Geo)OF2Se
  4066 Selenoyl fluoride (SeO2F2) (Geo)O2F2Se
  4067 Selenium tetrafluoride (Geo)F4Se
  4068 Selenium tetrafluorideF4Se
  4069 Selenium hexafluoride (Geo)F6Se
  4070 Selenium hexafluorideF6Se
  4071 SeF6(=) (Geo) F6Se
  4072 Diperfluoromethyl selenide (Geo)C2F6Se
  4073 Silicon selenide (Geo)SiSe
  4074 Silicon selenideSiSe
  4075 Disilyl selenide (Geo)H6Si2Se
  4076 Difluorophosphine selenide (Geo)HF2PSe
  4077 Carbon sulfide selenide (Geo)CSSe
  4078 Thiocarbonyl selenideCSSe
  4079 Selenium dichloride (Geo)Cl2Se
  4080 Selenium dichlorideCl2Se
  4081 Selenyl chloride (Geo)OCl2Se


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 SYMMETRY PM7
SeF6(=)
 <Se-F> GR=PW91D GWT=0.16666
 
 Se     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  F     2.02026400 +1    0.0000000 +0    0.0000000 +0     1     0     0
  F     2.02026400 +0   89.9989230 +0    0.0000000 +0     1     2     0
  F     2.02026400 +1   89.9998740 +1 -179.9998300 +0     1     3     2
  F     2.02026400 +1   90.0009160 +1  179.9998300 +1     1     2     3
  F     2.02026400 +1   89.9998400 +1  -89.9997230 +1     1     2     5
  F     2.02026400 +0   90.0000100 +0  179.9996150 +0     1     2     6
 
   2  1    3    4    5    6    7