GENERAL INFO

Title: /Paper/Outputs_Inputs_CGET/ICp_star ICp_star_spbs
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/23479
Program: Gaussian 09
Author: García, Cristina
Formula: C 23.0 H 39.0 Br 1.0 O 2.0 Rh 1.0 Si 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 -1462.4768822 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-8.3190 -3.6104 -2.7231 9.4687

Quadrupole moment

XX YY ZZ XY XZ YZ
-154.2216 -180.9640 -176.9693 5.7548 5.7578 -1.2861

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