GENERAL INFO

Title: A_sp_basisset
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/23022
Program: Gaussian 09
Author: García, Cristina
Formula: C 44.0 H 40.0 F 12.0 O 8.0 Rh 2.0
Calculation type: Single point Structure
Method(s): RB3LYP

ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: 0 1

JOB |

Energies


Energy Value Units
HF -3721.0549499 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-0.0062 -0.0026 -0.3436 0.3437

Quadrupole moment

XX YY ZZ XY XZ YZ
-403.4613 -413.1190 -401.9331 -4.1229 0.0055 0.0029

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