GENERAL INFO

Title: b1
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/1342
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
0.8717 0.9408 0.8910 1.5616

Quadrupole moment

XX YY ZZ XY XZ YZ
-29.5070 -34.1302 -33.8727 0.3777 1.7293 -0.4576

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