GENERAL INFO

Title: /Paper/Outputs_Inputs_CGET/II_Cl_Cpstar II_Cl_Cpstar_spbs
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/23534
Program: Gaussian 09
Author: García, Cristina
Formula: C 19.0 H 24.0 Cl 1.0 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 -1663.6552033 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-3.3054 -5.9808 3.9808 7.9084

Quadrupole moment

XX YY ZZ XY XZ YZ
-141.5018 -145.2049 -156.8535 8.8679 -1.9822 9.4539

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