GENERAL INFO

Title: p2
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/1350
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
0.7825 -1.0757 0.9851 1.6552

Quadrupole moment

XX YY ZZ XY XZ YZ
-24.5061 -28.7603 -26.9854 2.0277 0.6651 1.1597

Report data Creative Commons License
This HTML file Creative Commons License