GENERAL INFO

Title: TSIII_IVstar_sp_basisset
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/23058
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 -3022.8361848 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
1.2067 6.8501 -3.9415 7.9947

Quadrupole moment

XX YY ZZ XY XZ YZ
-310.5524 -283.5855 -309.6788 1.2535 3.8293 -9.1436

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