GENERAL INFO

Title: /Paper/Outputs_Inputs_CGET/KIE_110/II_D_Cp_110 II_D_Cp_110_110_spbs
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/23689
Program: Gaussian 09
Author: García, Cristina
Formula: C 13.0 H 13.0 N 1.0 O 4.0 Rh 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 -968.112706 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-1.8782 -7.1457 -3.4239 8.1432

Quadrupole moment

XX YY ZZ XY XZ YZ
-83.4826 -98.3959 -112.3613 1.3031 1.5039 -6.9027

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