TSS_2_6

GENERAL INFO

Title:	TSS_2_6
Browse item:	https://iochem-bd.bsc.es:443/browse/handle/100/200864
Program:	Gaussian 09 AM64L-G09RevD.01
Author:	Laconsay, Croix
Formula:
Calculation type:	Single point Structure
Method(s):	RM062X

ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity:

JOB |

Energies

Mulliken charges

Dipole moment (Debye)

Dipole moment

X	Y	Z	Total
-8.7729	19.3105	0.4054	21.2138

Quadrupole moment

XX	YY	ZZ	XY	XZ	YZ
-111.2583	-137.1392	-100.4164	12.8707	-7.3504	4.4872

JOB |

Energies

Mulliken charges

Dipole moment (Debye)

Dipole moment

X	Y	Z	Total
-8.7729	19.3106	0.4054	21.2138

Quadrupole moment

XX	YY	ZZ	XY	XZ	YZ
-111.2583	-137.1392	-100.4164	12.8707	-7.3504	4.4872

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