GENERAL INFO

Title: TScisVI_VII_sp_basisset
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/23125
Program: Gaussian 09
Author: García, Cristina
Formula: C 25.0 H 22.0 F 12.0 O 9.0 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 -3061.1834449 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-9.6860 8.3118 -0.1004 12.7638

Quadrupole moment

XX YY ZZ XY XZ YZ
-289.5201 -303.4635 -306.7232 -4.0212 3.7949 -9.5827

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