9b_CH2_DCM

GENERAL INFO

Title:	9b_CH2_DCM
Browse item:	https://iochem-bd.bsc.es:443/browse/handle/100/199548
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
-1.4618	1.1879	-0.4057	1.9268

Quadrupole moment

XX	YY	ZZ	XY	XZ	YZ
-200.9044	-180.7717	-175.0939	13.5709	2.2598	0.5093

JOB |

Energies

Mulliken charges

Dipole moment (Debye)

Dipole moment

X	Y	Z	Total
-1.5066	1.1825	-0.3769	1.9520

Quadrupole moment

XX	YY	ZZ	XY	XZ	YZ
-201.1667	-180.5929	-175.2786	13.8615	2.3633	0.3585

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