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

tungsten(vi) dichloride dioxide   7384 Tungsten(VI) dichloride dioxide

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    #  Species Formula
  7374 Tungsten(VI) sulfide trifluorideF3SW
  7375 Tungsten(VI) sulfide trifluoride (Geo)F3SW
  7376 WF4SN (CAGBER) (Geo)C2H3NF4SW
  7377 WF4SN (CAGBER)C2H3NF4SW
  7378 Tungsten(I) chlorideClW
  7379 W(Cp)C3Cl (BACFAM) (Geo)C8H5O3ClW
  7380 W(Cp)C3Cl (BACFAM)C8H5O3ClW
  7381 WC5Cl (CPECOW) (Geo)C5O5ClW
  7382 W(Cp)2Cl2(+) (JUTPET) (Geo)C10H10Cl2W
  7383 Bicyclopentadienyl tungsten dichlorideC10H10Cl2W
  7384 Tungsten(VI) dichloride dioxide O2Cl2W
  7385 Tungsten(VI) dioxide dichlorideO2Cl2W
  7386 Tungsten(VI) dichloride dioxide (Geo)O2Cl2W
  7387 Tungsten(VI) oxide tetrachlorideOCl4W
  7388 Tungsten(VI) oxide tetrachloride (Geo)OCl4W
  7389 Tungsten hexachlorideCl6W
  7390 Tungsten(VI) hexachloride (Geo)Cl6W
  7391 Tungsten(I) bromideBrW
  7392 Tungsten(I) bromide (Geo)BrW
  7393 WC6 (BMCBCW) (Geo)C6H3O4BrW
  7394 WC6 (BMCBCW)C6H3O4BrW


Dipole: 1.9 Debye,     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.
I.P.: 8.2 eV,     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.
  
 PM7
Tungsten(VI) dichloride dioxide
 I=8.19 IR=PW91D D=1.87 DR=PW91D
  W     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cl     2.28821102 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     1.74799753 +1  107.9476353 +1    0.0000000 +0     1     2     0
  O     1.74807813 +1  107.9723649 +1  134.8966586 +1     1     2     3
 Cl     2.28564347 +1   99.4620439 +1  112.5066866 +1     1     2     4