GENERAL INFO

Title: TSIV_V_sp_basisset
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/23064
Program: Gaussian 09
Author: García, Cristina
Formula: C 26.0 H 20.0 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 -3022.8605505 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-1.1147 -8.4050 -7.4439 11.2827

Quadrupole moment

XX YY ZZ XY XZ YZ
-289.6752 -307.8772 -294.8250 -0.7077 2.6857 7.8470

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