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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 | |||
Isotropic polarizability for W= 0.000000 259.59 Bohr**3. | |||
=== Mulliken === | === Mulliken === | ||
Zeile 39: | Zeile 42: | ||
== 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.