1b_DCM_none

GENERAL INFO

Title:	1b_DCM_none
Browse item:	https://iochem-bd.bsc.es:443/browse/handle/100/199682
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
-0.7714	1.0475	-0.0127	1.3010

Quadrupole moment

XX	YY	ZZ	XY	XZ	YZ
-56.1065	-76.5725	-75.5170	1.9126	0.0059	0.3735

JOB |

Energies

Mulliken charges

Dipole moment (Debye)

Dipole moment

X	Y	Z	Total
-0.7694	1.0472	-0.0226	1.2997

Quadrupole moment

XX	YY	ZZ	XY	XZ	YZ
-56.0876	-76.5948	-75.4965	1.9167	0.0382	0.5369

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