9c_CH2_DCM_DCM

GENERAL INFO

Title:	9c_CH2_DCM_DCM
Browse item:	https://iochem-bd.bsc.es:443/browse/handle/100/199578
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
-0.9244	0.1014	2.4368	2.6082

Quadrupole moment

XX	YY	ZZ	XY	XZ	YZ
-245.5198	-219.6163	-216.1971	3.6166	14.5066	3.0927

JOB |

Energies

Mulliken charges

Dipole moment (Debye)

Dipole moment

X	Y	Z	Total
-1.1503	-0.0352	2.0569	2.3570

Quadrupole moment

XX	YY	ZZ	XY	XZ	YZ
-249.7125	-223.0623	-216.6632	-0.5990	3.1843	1.3127

Report data

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