GENERAL INFO

Title: /Paper/Outputs_Inputs_CGET/III III_spbs
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/23467
Program: Gaussian 09
Author: García, Cristina
Formula: C 14.0 H 15.0 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 -1007.4349457 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-3.9655 2.5523 5.0027 6.8750

Quadrupole moment

XX YY ZZ XY XZ YZ
-89.3735 -102.6533 -118.3509 3.1319 5.4948 -5.8963

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