9b_CH3_none_ACN

GENERAL INFO

Title:	9b_CH3_none_ACN
Browse item:	https://iochem-bd.bsc.es:443/browse/handle/100/199553
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
6.7455	1.7635	2.0937	7.2798

Quadrupole moment

XX	YY	ZZ	XY	XZ	YZ
-156.8583	-194.1785	-200.0974	11.1295	0.4935	1.8225

JOB |

Energies

Mulliken charges

Dipole moment (Debye)

Dipole moment

X	Y	Z	Total
6.7482	1.7633	2.0925	7.2819

Quadrupole moment

XX	YY	ZZ	XY	XZ	YZ
-156.7970	-194.1762	-200.0944	11.1434	0.4952	1.8224

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