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

w(co)6r   7362 Tungsten hexacarbonyl (Geo)

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    #  Species Formula
  7352 W(II)(NH3)6 (Geo)H18N6W
  7353 Dimethyl tungsten(VI) dioxide (Geo)C2H6O2W
  7354 Tungsten trioxideO3W
  7355 1,3,5-Trimethylbenzene tungsten tricarbonylC12H12O3W
  7356 Tungstic acid (WO2(OH)2)H2O4W
  7357 Pyridine tungsten(VI) pentacarbonylC10H5NO5W
  7358 Piperidine tungsten(VI) pentacarbonylC10H11NO5W
  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) pentafluorideF5W
  7370 Tungsten(V) pentafluoride (Geo)F5W
  7371 Tungsten hexafluorideF6W
  7372 Tungsten hexafluoride (Geo)F6W


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.
  
 PULAY SHIFT=50 SYMMETRY PM7
Tungsten hexacarbonyl
 <W-C> GR=PW91D
  W     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     2.08200000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     2.08200000 +0   90.0000000 +0    0.0000000 +0     1     2     0
  C     2.08200000 +0   90.0000000 +0  180.0000000 +0     1     2     3
  C     2.08200000 +0  180.0000000 +0    0.0000000 +0     1     2     3
  C     2.08200000 +0   90.0000000 +0   90.0000000 +0     1     2     3
  C     2.08200000 +0   90.0000000 +0  -90.0000000 +0     1     2     3
  O     1.15227859 +1  180.0000000 +0    0.0000000 +0     2     1     3
  O     1.15227859 +0  180.0000000 +0    0.0000000 +0     4     1     2
  O     1.15227859 +0  180.0000000 +0    0.0000000 +0     5     1     3
  O     1.15227859 +0  180.0000000 +0    0.0000000 +0     6     1     3
  O     1.15227859 +0  180.0000000 +0    0.0000000 +0     7     1     3
  O     1.15227859 +0  180.0000000 +0    0.0000000 +0     3     1     2