GENERAL INFO

Title: /Paper/Outputs_Inputs_CGET/III_H_Cp III_H_Cp_spbs
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/23664
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 -968.1193502 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-3.6855 2.1687 5.7863 7.1950

Quadrupole moment

XX YY ZZ XY XZ YZ
-87.3744 -95.6665 -114.1015 2.6861 6.1901 -5.6701

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