E

GENERAL INFO

Title:	E
Browse item:	https://iochem-bd.bsc.es:443/browse/handle/100/195358
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
11.7775	-0.3690	0.1207	11.7839

Quadrupole moment

XX	YY	ZZ	XY	XZ	YZ
-62.2522	-111.5274	-117.3303	-1.6418	3.5639	-0.4858

JOB |

Energies

Mulliken charges

Dipole moment (Debye)

Dipole moment

X	Y	Z	Total
11.8441	-0.3711	0.1129	11.8504

Quadrupole moment

XX	YY	ZZ	XY	XZ	YZ
-61.8280	-111.5650	-117.3425	-1.6295	3.5410	-0.4770

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