GENERAL INFO

Title: /Paper/Outputs_Inputs_CGET/KIE_110/I_110 I_110_spbs
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/23674
Program: Gaussian 09
Author: García, Cristina
Formula: C 18.0 H 29.0 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 -1265.8592851 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-6.5514 -4.7571 -2.1911 8.3876

Quadrupole moment

XX YY ZZ XY XZ YZ
-132.0362 -149.7272 -146.8542 10.5506 5.8570 1.5741

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