9a_CH3_DCM_DCM

GENERAL INFO

Title:	9a_CH3_DCM_DCM
Browse item:	https://iochem-bd.bsc.es:443/browse/handle/100/199558
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
0.5778	-0.9803	-3.5012	3.6814

Quadrupole moment

XX	YY	ZZ	XY	XZ	YZ
-234.4056	-196.0139	-190.0990	-3.9639	11.7776	8.6205

JOB |

Energies

Mulliken charges

Dipole moment (Debye)

Dipole moment

X	Y	Z	Total
0.4487	-0.2583	-3.4731	3.5114

Quadrupole moment

XX	YY	ZZ	XY	XZ	YZ
-235.3372	-194.6020	-192.0599	-7.2876	14.8816	6.1889

Report data

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