6a_7a_TSS_gas

GENERAL INFO

Title:	6a_7a_TSS_gas
Browse item:	https://iochem-bd.bsc.es:443/browse/handle/100/199646
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
4.1448	1.0164	-0.1171	4.2692

Quadrupole moment

XX	YY	ZZ	XY	XZ	YZ
-168.6526	-141.9260	-163.9939	5.0998	-4.2647	3.1451

JOB |

Energies

Mulliken charges

Dipole moment (Debye)

Dipole moment

X	Y	Z	Total
4.1448	1.0164	-0.1171	4.2692

Quadrupole moment

XX	YY	ZZ	XY	XZ	YZ
-168.6527	-141.9260	-163.9938	5.0998	-4.2647	3.1451

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