GENERAL INFO

Title: TSXII_XVI_sp_basisset
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/23033
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 -3061.1782907 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-7.5239 8.7886 -1.7671 11.7035

Quadrupole moment

XX YY ZZ XY XZ YZ
-309.0576 -265.5840 -311.8816 -3.5802 -1.3867 -8.1931

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