GENERAL INFO

Title: /Paper/Outputs_Inputs_CGET/KIE_110/III_D_Cp_110 III_D_Cp_110_spbs
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/23678
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):

ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: 1 1

JOB |

Energies


Energy Value Units
HF -968.1193499 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-3.6861 2.1697 5.7860 7.1953

Quadrupole moment

XX YY ZZ XY XZ YZ
-87.3734 -95.6657 -114.1020 2.6844 6.1881 -5.6723

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