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== Partial atomic charges ==
== Partial atomic charges ==
=== Dipole Moment ===
=== Dipole Moment and polarizability ===
  Dipole moment (field-independent basis, Debye):
    X=    0.0000    Y=    0.0000    Z=    0.0000  Tot=    0.0000


   No dipole moment in either anion or neutral molecule
   Isotropic polarizability for W=    0.000000      259.59 Bohr**3.


=== Mulliken ===
=== Mulliken ===
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== Raman spectrum ==
== Raman spectrum ==
== Logfiles for Download ==
== Logfiles for Download ==
[[

Version vom 21. Mai 2010, 17:58 Uhr

All calculations on the B3LYP/6-311+G** level. Diffuse functions are important for the anions.

Partial atomic charges

Dipole Moment and polarizability

 Dipole moment (field-independent basis, Debye):
   X=     0.0000    Y=     0.0000    Z=     0.0000  Tot=     0.0000
 Isotropic polarizability for W=    0.000000      259.59 Bohr**3.

Mulliken

ESP (Merz Kollman)

NBO

IR spectrum

Raman spectrum

Logfiles for Download