GENERAL INFO

Title: /Paper/Outputs_Inputs_CGET/II_Br_Cpstar II_Br_Cpstar_spbs
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/23517
Program: Gaussian 09
Author: García, Cristina
Formula: C 19.0 H 24.0 Br 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 -1216.6240958 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
4.9995 -6.8907 -2.9510 9.0103

Quadrupole moment

XX YY ZZ XY XZ YZ
-140.1855 -152.8963 -155.6405 -10.7761 -3.3352 -9.5602

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