9b_CH2_ACN

GENERAL INFO

Title:	9b_CH2_ACN
Browse item:	https://iochem-bd.bsc.es:443/browse/handle/100/199586
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
-0.5196	1.6405	-0.7857	1.8917

Quadrupole moment

XX	YY	ZZ	XY	XZ	YZ
-195.0502	-184.7486	-172.2119	8.6314	-1.5587	2.2028

JOB |

Energies

Mulliken charges

Dipole moment (Debye)

Dipole moment

X	Y	Z	Total
-0.6035	1.6626	-0.6894	1.8984

Quadrupole moment

XX	YY	ZZ	XY	XZ	YZ
-194.4000	-184.7115	-173.4355	9.5937	0.8111	1.8234

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