8c_DCM_DCM

GENERAL INFO

Title:	8c_DCM_DCM
Browse item:	https://iochem-bd.bsc.es:443/browse/handle/100/199605
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
-11.1031	0.9006	0.7138	11.1624

Quadrupole moment

XX	YY	ZZ	XY	XZ	YZ
-221.3319	-207.5312	-219.7605	5.3436	25.6095	1.4989

JOB |

Energies

Mulliken charges

Dipole moment (Debye)

Dipole moment

X	Y	Z	Total
-11.7681	1.1414	0.6874	11.8433

Quadrupole moment

XX	YY	ZZ	XY	XZ	YZ
-226.4915	-210.6719	-215.4490	9.3069	12.3465	-7.5855

Report data

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