NO2_prot_ket

GENERAL INFO

Title:	NO2_prot_ket
Browse item:	https://iochem-bd.bsc.es:443/browse/handle/100/200924
Program:	Gaussian 09 AM64L-G09RevD.01
Author:	Laconsay, Croix
Formula:
Calculation type:	Single point Structure
Method(s):	RM062X

ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity:

JOB |

Energies

Mulliken charges

Dipole moment (Debye)

Dipole moment

X	Y	Z	Total
-4.7207	2.8007	-0.9519	5.5709

Quadrupole moment

XX	YY	ZZ	XY	XZ	YZ
-87.7572	-66.3408	-91.7239	-2.9830	1.0669	5.6535

JOB |

Energies

Mulliken charges

Dipole moment (Debye)

Dipole moment

X	Y	Z	Total
-4.8417	2.9061	-0.8064	5.7041

Quadrupole moment

XX	YY	ZZ	XY	XZ	YZ
-87.4359	-66.1713	-91.7070	-4.2832	0.8064	5.9589

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