GENERAL INFO

Title: p4
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/1351
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
-1.2097 -2.0614 0.4755 2.4370

Quadrupole moment

XX YY ZZ XY XZ YZ
-29.3149 -32.6746 -32.3867 -0.8630 -3.4659 -1.0268

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