GENERAL INFO

Title: p1
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/1340
Program: Gaussian 09 EM64L-G09RevA.02
Author: García Muelas, Rodrigo
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
-0.2795 1.5170 0.0002 1.5425

Quadrupole moment

XX YY ZZ XY XZ YZ
-25.5205 -27.1017 -27.0537 3.9991 0.0004 0.0000

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