GENERAL INFO

Title: /Paper/Outputs_Inputs_CGET/S18 S18
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/23578
Program: Gaussian 09 EM64L-G09RevD.01
Author: García, Cristina
Formula:
Calculation type: Single point Structure
Method(s): RwB97XD

ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity:

JOB |

Energies


Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
7.4643 0.2994 -7.5563 10.6256

Quadrupole moment

XX YY ZZ XY XZ YZ
-101.3811 -105.8957 -133.0325 -3.0577 -9.2409 0.8820

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