GENERAL INFO

Title: i13
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/192943
Program: Gaussian 09 ES64L-G09RevD.01
Author: Galvao, Tiago
Formula:
Calculation type: Single point Structure
Method(s): RM062X

ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity:

JOB |

Energies


Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-13.8291 2.2232 0.0057 14.0066

Quadrupole moment

XX YY ZZ XY XZ YZ
-168.7964 -154.0524 -136.5628 4.3316 3.5621 8.1409

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