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GENERAL INFO

Title:	-
Program:	Gaussian 09 EM64L-G09RevA.02
Formula:	H2
Calculation type:	Geometry optimization Minimum
Method(s):	RB3LYP

ATOM INFO

Atomic coordinates [Å] (optimized)

MOLECULAR INFO

Charge / Multiplicity:

0 1

Full point group


Full point group	D*H	NOp	8

Polarizable Continuum Model (PCM)


Model:	PCM
Atomic radii	SMD-Coulomb.
Solvent	Water
	Eps= 78.355300
	Eps(inf)= 1.777849

JOB |

Energies

Energy	Value	Units
SCF Done:	-1.17268420649	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
-2.0110	-2.0110	-1.5864	0.0000	0.0000	0.0000

Report data

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