GENERAL INFO

Title: /Paper/Outputs_Inputs_CGET/S23 S23_spbs
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/23470
Program: Gaussian 09
Author: García, Cristina
Formula: C 18.0 H 29.0 I 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 -1264.0817383 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-5.8860 -5.2415 -2.9522 8.4163

Quadrupole moment

XX YY ZZ XY XZ YZ
-141.6671 -145.1735 -154.1494 7.7558 7.4664 1.4247

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