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GENERAL INFO

Title:	-
Program:	Gaussian 09 EM64L-G09RevA.02
Formula:	O40SiW12
Calculation type:	Geometry optimization Minimum
Method(s):	RB3LYP

ATOM INFO

Atomic coordinates [Å] (optimized)

MOLECULAR INFO

Charge / Multiplicity:

-4 1

Polarizable Continuum Model (PCM)


Model:	PCM
Atomic radii	UFF
Solvent	Water
	Eps= 78.355300
	Eps(inf)= 1.777849

JOB |

Energies

Energy	Value	Units
SCF Done:	-3830.38760207	Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X	Y	Z	Total
0.0000	0.0000	0.0000	0.0000

Quadrupole moment

XX	YY	ZZ	XY	XZ	YZ
-701.6718	-701.6718	-701.6718	0.0000	0.0000	0.0000

Report data

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