7a_ACN_ACN

GENERAL INFO

Title:	7a_ACN_ACN
Browse item:	https://iochem-bd.bsc.es:443/browse/handle/100/199626
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
4.4966	1.5270	-0.2296	4.7544

Quadrupole moment

XX	YY	ZZ	XY	XZ	YZ
-106.8955	-144.5957	-174.1944	-2.2699	-0.4307	-6.7252

JOB |

Energies

Mulliken charges

Dipole moment (Debye)

Dipole moment

X	Y	Z	Total
2.9295	-0.0075	-0.0972	2.9311

Quadrupole moment

XX	YY	ZZ	XY	XZ	YZ
-99.8177	-142.3336	-174.3246	-0.0210	-0.4504	-5.8598

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