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

tungsten(v) pentafluoride   7369 Tungsten(V) pentafluoride

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    #  Species Formula
  7359 W(II)(H2O)6H12O6W
  7360 W(II)(H2O)6 (Geo)H12O6W
  7361 Tungsten hexacarbonylC6O6W
  7362 Tungsten hexacarbonyl (Geo)C6O6W
  7363 Tungsten(I) fluorideFW
  7364 Tungsten(I) fluoride (Geo)FW
  7365 Tungsten(VI) difluoride dioxideO2F2W
  7366 Tungsten(VI) dioxide difluorideO2F2W
  7367 Tungsten(VI) difluoride dioxide (Geo)O2F2W
  7368 Tungsten(VI) oxide tetrafluorideOF4W
  7369 Tungsten(V) pentafluoride F5W
  7370 Tungsten(V) pentafluoride (Geo)F5W
  7371 Tungsten hexafluorideF6W
  7372 Tungsten hexafluoride (Geo)F6W
  7373 WC5P (BEFBOD) (Geo)C8H9O5PW
  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


Dipole: 2.1 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.: 7.3 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(V) pentafluoride
 D=2.096 DR=PW91D I=7.260 IR=PW91D
  W     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  F     1.81354255 +1    0.0000000 +0    0.0000000 +0     1     0     0
  F     1.78551032 +1   93.9298024 +1    0.0000000 +0     1     2     0
  F     1.81317621 +1   89.9609140 +1   96.0113565 +1     1     2     3
  F     1.81355560 +1  172.1217147 +1   89.8526072 +1     1     2     4
  F     1.81350652 +1   89.2398787 +1  168.1385366 +1     1     2     4