H

GENERAL INFO

Title:	H
Browse item:	https://iochem-bd.bsc.es:443/browse/handle/100/195355
Program:	Gaussian 09 ES64L-G09RevD.01
Author:	Laconsay, Croix
Formula:
Calculation type:	Single point Structure
Method(s):	RB3LYP

ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity:

JOB |

Energies

Mulliken charges

Dipole moment (Debye)

Dipole moment

X	Y	Z	Total
-7.7914	-0.1909	0.2072	7.7965

Quadrupole moment

XX	YY	ZZ	XY	XZ	YZ
-85.8354	-107.6562	-114.6235	1.5754	-2.3894	-2.2819

JOB |

Energies

Mulliken charges

Dipole moment (Debye)

Dipole moment

X	Y	Z	Total
-7.7940	-0.1778	0.1955	7.7984

Quadrupole moment

XX	YY	ZZ	XY	XZ	YZ
-85.7324	-107.6288	-114.6374	1.5941	-2.4003	-2.2552

Report data

Creative Commons License

This HTML file

Creative Commons License