14S_1_3

GENERAL INFO

Title:	14S_1_3
Browse item:	https://iochem-bd.bsc.es:443/browse/handle/100/195382
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	-0.1400	0.1187	0.1964

Quadrupole moment

XX	YY	ZZ	XY	XZ	YZ
-128.6927	-127.0214	-131.1835	1.2367	0.7031	0.5342

JOB |

Energies

Mulliken charges

Dipole moment (Debye)

Dipole moment

X	Y	Z	Total
0.0668	-0.1468	0.1734	0.2368

Quadrupole moment

XX	YY	ZZ	XY	XZ	YZ
-128.4518	-126.8664	-131.0850	1.2893	0.5939	0.6245

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