GENERAL INFO

Title: /Paper/Outputs_Inputs_CGET/IV IV_spbs
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/23524
Program: Gaussian 09
Author: García, Cristina
Formula: C 23.0 H 32.0 Br 1.0 N 1.0 O 2.0 Rh 1.0 Si 1.0
Calculation type: Single point Structure
Method(s): RwB97XD

ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: 1 1

JOB |

Energies


Energy Value Units
HF -1512.8095556 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
4.8755 -5.3150 -4.2764 8.3850

Quadrupole moment

XX YY ZZ XY XZ YZ
-152.3668 -187.2647 -179.9746 -1.4167 4.6284 9.8322

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