14R_1_2

GENERAL INFO

Title:	14R_1_2
Browse item:	https://iochem-bd.bsc.es:443/browse/handle/100/195380
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
-0.0862	-0.1929	0.0714	0.2230

Quadrupole moment

XX	YY	ZZ	XY	XZ	YZ
-129.6763	-127.2266	-130.0380	-1.4237	-0.6516	0.4932

JOB |

Energies

Mulliken charges

Dipole moment (Debye)

Dipole moment

X	Y	Z	Total
-0.0932	-0.1978	0.0700	0.2296

Quadrupole moment

XX	YY	ZZ	XY	XZ	YZ
-129.3863	-127.0569	-129.9647	-1.4366	-0.6557	0.5346

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