8b_9b_TSS_CH3_gas

GENERAL INFO

Title:	8b_9b_TSS_CH3_gas
Browse item:	https://iochem-bd.bsc.es:443/browse/handle/100/199574
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
6.2043	-1.0739	-0.6950	6.3348

Quadrupole moment

XX	YY	ZZ	XY	XZ	YZ
-187.0222	-169.0662	-181.7970	-5.0051	2.9618	3.4227

JOB |

Energies

Mulliken charges

Dipole moment (Debye)

Dipole moment

X	Y	Z	Total
6.2043	-1.0739	-0.6950	6.3348

Quadrupole moment

XX	YY	ZZ	XY	XZ	YZ
-187.0222	-169.0662	-181.7970	-5.0051	2.9618	3.4227

Report data

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