7

GENERAL INFO

Title:	7
Browse item:	https://iochem-bd.bsc.es:443/browse/handle/100/200922
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
0.3937	-2.9195	-0.0766	2.9469

Quadrupole moment

XX	YY	ZZ	XY	XZ	YZ
-99.0833	-94.9019	-91.3295	6.2628	-0.0597	-0.4218

JOB |

Energies

Mulliken charges

Dipole moment (Debye)

Dipole moment

X	Y	Z	Total
0.4702	-2.8660	-0.1625	2.9089

Quadrupole moment

XX	YY	ZZ	XY	XZ	YZ
-98.7017	-95.1230	-91.5251	6.0066	0.1395	-0.3389

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