GENERAL INFO

Title: /Paper/Outputs_Inputs_CGET/S8 S8_spbs
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/23574
Program: Gaussian 09
Author: García, Cristina
Formula: C 12.0 H 11.0 N 1.0 O 2.0 Rh 1.0
Calculation type: Single point Structure
Method(s): RwB97XD

ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: 1 1

JOB |

Energies


Energy Value Units
HF -778.3152518 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-5.0031 4.4025 -0.2575 6.6693

Quadrupole moment

XX YY ZZ XY XZ YZ
-62.5079 -95.6529 -96.6392 6.4784 2.7382 -0.7328

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