14S_1_1

GENERAL INFO

Title:	14S_1_1
Browse item:	https://iochem-bd.bsc.es:443/browse/handle/100/195365
Program:	Gaussian 09 AM64L-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
0.0697	-0.1315	0.0295	0.1517

Quadrupole moment

XX	YY	ZZ	XY	XZ	YZ
-128.5210	-127.4146	-130.8348	1.1068	0.5017	1.1270

JOB |

Energies

Mulliken charges

Dipole moment (Debye)

Dipole moment

X	Y	Z	Total
0.0694	-0.1492	0.0893	0.1872

Quadrupole moment

XX	YY	ZZ	XY	XZ	YZ
-128.2916	-127.1886	-130.7876	1.1645	0.4345	1.1718

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