14S_1_2

GENERAL INFO

Title:	14S_1_2
Browse item:	https://iochem-bd.bsc.es:443/browse/handle/100/195383
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
0.0869	-0.2000	0.1072	0.2430

Quadrupole moment

XX	YY	ZZ	XY	XZ	YZ
-129.6005	-127.5520	-129.9621	1.2187	0.7688	1.0831

JOB |

Energies

Mulliken charges

Dipole moment (Debye)

Dipole moment

X	Y	Z	Total
0.0900	-0.2064	0.1284	0.2592

Quadrupole moment

XX	YY	ZZ	XY	XZ	YZ
-129.3194	-127.3507	-129.9143	1.2615	0.7674	1.0870

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