8b_9b_TSS_CH3_DCM

GENERAL INFO

Title:	8b_9b_TSS_CH3_DCM
Browse item:	https://iochem-bd.bsc.es:443/browse/handle/100/199544
Program:	Gaussian 09 EM64L-G09RevB.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
7.6774	-1.8145	-0.9499	7.9459

Quadrupole moment

XX	YY	ZZ	XY	XZ	YZ
-182.3386	-165.1782	-180.1526	-6.1768	2.4786	4.2521

JOB |

Energies

Mulliken charges

Dipole moment (Debye)

Dipole moment

X	Y	Z	Total
7.6775	-1.8145	-0.9499	7.9459

Quadrupole moment

XX	YY	ZZ	XY	XZ	YZ
-182.3386	-165.1782	-180.1526	-6.1768	2.4787	4.2521

Report data

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