N2

GENERAL INFO

Title:	N2
Browse item:	https://iochem-bd.iciq.es:443/browse/handle/100/17864
Program:	Gaussian 09 EM64L-G09RevD.01
Author:	Fianchini, Mauro
Formula:	N2
Calculation type:	Geometry optimization Minimum
Method(s):	RM062X - Grimme-D3

ATOM INFO

Atomic coordinates [Å] (optimized)

MOLECULAR INFO

Charge / Multiplicity:

0 1

Polarizable Continuum Model (PCM)


Model:	PCM (using non-symmetric T matrix)
Atomic radii	SMD-Coulomb.
Solvent	1,4-Dioxane
	Eps= 2.079130
	Eps(inf)= 1.922800

JOB |

Energies

Energy	Value	Units
SCF Done:	-109.530491920	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
-11.5485	-10.2247	-10.3928	-0.0491	0.4746	0.0176

Report data

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