GENERAL INFO

Title: XXII_sp_basisset
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/23083
Program: Gaussian 09
Author: García, Cristina
Formula: C 23.0 H 18.0 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 -2907.3266816 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
2.4677 -2.8178 -3.4122 5.0668

Quadrupole moment

XX YY ZZ XY XZ YZ
-286.0976 -287.2454 -288.1115 -3.2875 -7.5315 4.5581

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