9b_CH2_none_DCM

GENERAL INFO

Title:	9b_CH2_none_DCM
Browse item:	https://iochem-bd.bsc.es:443/browse/handle/100/199542
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
-0.0297	2.5876	-0.7798	2.7027

Quadrupole moment

XX	YY	ZZ	XY	XZ	YZ
-238.7704	-210.0088	-207.6146	-0.2520	-1.9786	0.1687

JOB |

Energies

Mulliken charges

Dipole moment (Debye)

Dipole moment

X	Y	Z	Total
-0.5769	1.2789	1.4990	2.0531

Quadrupole moment

XX	YY	ZZ	XY	XZ	YZ
-238.7671	-208.8138	-210.0480	-6.4943	5.0248	-0.3827

Report data

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