9b_CH2_gas

GENERAL INFO

Title:	9b_CH2_gas
Browse item:	https://iochem-bd.bsc.es:443/browse/handle/100/199588
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
0.1066	0.9816	-1.0660	1.4530

Quadrupole moment

XX	YY	ZZ	XY	XZ	YZ
-194.1606	-181.9157	-175.7009	5.9121	-6.0944	4.9186

JOB |

Energies

Mulliken charges

Dipole moment (Debye)

Dipole moment

X	Y	Z	Total
0.6595	0.5418	-0.7189	1.1160

Quadrupole moment

XX	YY	ZZ	XY	XZ	YZ
-194.3637	-182.3087	-178.1290	10.5778	5.1957	-0.6010

Report data

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