6c_7c_TSS_gas

GENERAL INFO

Title:	6c_7c_TSS_gas
Browse item:	https://iochem-bd.bsc.es:443/browse/handle/100/199644
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
6.5246	-0.4433	0.9099	6.6026

Quadrupole moment

XX	YY	ZZ	XY	XZ	YZ
-191.1954	-170.0130	-181.4560	-1.9796	-4.9090	1.8209

JOB |

Energies

Mulliken charges

Dipole moment (Debye)

Dipole moment

X	Y	Z	Total
6.5246	-0.4433	0.9099	6.6026

Quadrupole moment

XX	YY	ZZ	XY	XZ	YZ
-191.1955	-170.0130	-181.4560	-1.9796	-4.9090	1.8209

Report data

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