8c_9c_TSS_CH3_gas

GENERAL INFO

Title:	8c_9c_TSS_CH3_gas
Browse item:	https://iochem-bd.bsc.es:443/browse/handle/100/199573
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
-6.1190	-0.2398	2.5719	6.6419

Quadrupole moment

XX	YY	ZZ	XY	XZ	YZ
-207.4657	-184.8012	-183.0199	1.1358	-0.5319	0.4237

JOB |

Energies

Mulliken charges

Dipole moment (Debye)

Dipole moment

X	Y	Z	Total
-6.1190	-0.2398	2.5719	6.6418

Quadrupole moment

XX	YY	ZZ	XY	XZ	YZ
-207.4656	-184.8012	-183.0199	1.1358	-0.5318	0.4237

Report data

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