7b_ACN_ACN

GENERAL INFO

Title:	7b_ACN_ACN
Browse item:	https://iochem-bd.bsc.es:443/browse/handle/100/199623
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
-2.2196	-3.0237	-2.7973	4.6791

Quadrupole moment

XX	YY	ZZ	XY	XZ	YZ
-91.8607	-155.6472	-185.8144	8.8965	5.8029	-5.0347

JOB |

Energies

Mulliken charges

Dipole moment (Debye)

Dipole moment

X	Y	Z	Total
-2.2214	-3.0024	-2.8094	4.6735

Quadrupole moment

XX	YY	ZZ	XY	XZ	YZ
-91.8466	-155.6421	-185.8276	8.8330	5.8308	-5.0678

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