8b_9b_TSS_CH2_gas

GENERAL INFO

Title:	8b_9b_TSS_CH2_gas
Browse item:	https://iochem-bd.bsc.es:443/browse/handle/100/199602
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
-6.6322	-0.4000	2.0748	6.9607

Quadrupole moment

XX	YY	ZZ	XY	XZ	YZ
-186.5106	-177.1030	-171.5931	3.7678	-2.1531	-6.6224

JOB |

Energies

Mulliken charges

Dipole moment (Debye)

Dipole moment

X	Y	Z	Total
-6.6322	-0.4000	2.0748	6.9607

Quadrupole moment

XX	YY	ZZ	XY	XZ	YZ
-186.5106	-177.1030	-171.5930	3.7678	-2.1531	-6.6224

Report data

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