Accuracy

se4cl16   4097 Se4Cl16

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    #  Species Formula
  4087 Carbon diselenideCSe2
  4088 Me-Se-Se-Me (Geo)C2H6Se2
  4089 (C6H5)-Se-Se-(C6H5)C12H10Se2
  4090 C6H5-CH2-Se-Se-CH2-C6H5C14H14Se2
  4091 ClSeSeClCl2Se2
  4092 Diselenium dichloride (Geo)Cl2Se2
  4093 Mn(CO)3ClSe2 (GONTIM) (Geo)C7H10O3ClMnSe2
  4094 Tetramethyldiselenagermacyclohexane (Geo)C7H16GeSe2
  4095 Selenium, trimerSe3
  4096 P4Se3 (Geo)P4Se3
  4097 Se4Cl16 Cl16Se4
  4098 Se4Cl16 (Geo)Cl16Se4
  4099 Bromine, cation (Br(+))Br
  4100 Bromine, atomBr
  4101 Bromide, anionBr
  4102 Hydrogen bromide, cationHBr
  4103 Hydrogen bromide (Geo)HBr
  4104 Hydrogen bromideHBr
  4105 Helium bromide anion (Geo)HeBr
  4106 Lithium bromide (Geo)LiBr
  4107 Lithium bromideLiBr


ΔHf: -184.2 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.
  
 SHIFT=80 PULAY SYMMETRY PM7
Se4Cl16
 H=-184.2 HR=PW91D
 
 Se     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Se     4.06797401 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Se     4.06797401 +0   60.0000000 +0    0.0000000 +0     1     2     0
 Se     4.06797401 +0   60.0000000 +0  -70.5287810 +0     2     1     3
 Cl     2.63766634 +1   39.5204809 +1  -45.5728427 +1     1     2     3
 Cl     2.63766634 +0   39.4917272 +1  -45.6047055 +1     4     2     1
 Cl     2.63766634 +0   81.7625901 +1   35.2646826 +1     4     2     1
 Cl     2.63766634 +0   81.7491002 +1  -35.2925896 +1     2     1     3
 Cl     2.25153815 +1  131.6168029 +1  120.8454582 +1     4     2     1
 Cl     2.25153815 +0   85.3611541 +1 -144.7611217 +1     4     2     1
 Cl     2.25153815 +0  131.6185181 +1  -50.3630578 +1     4     2     1
 Cl     2.25153815 +0   85.3279789 +1 -144.8604204 +1     3     1     2
 Cl     2.25153815 +0  131.5719033 +1  120.7621847 +1     3     1     2
 Cl     2.25153815 +0  131.6601356 +1  -50.4798208 +1     3     1     2
 Cl     2.25153815 +0   85.3396608 +1 -144.6524809 +1     1     2     3
 Cl     2.25153815 +0  131.5024167 +1  120.9577351 +1     1     2     3
 Cl     2.25153815 +0  131.7531918 +1  -50.2561988 +1     1     2     3
 Cl     2.25153815 +0  131.5070782 +1   50.4897333 +1     2     1     3
 Cl     2.25153815 +0  131.7203625 +1 -120.7755282 +1     2     1     3
 Cl     2.25153815 +0   85.3162799 +1  144.8548563 +1     2     1     3
 
   2  1    3    4
   5  1    6    7    8
   9  1   10   11   12   13   14   15   16   17   18   19
   9  1   20