GENERAL INFO

Title: /Paper/Outputs_Inputs_CGET/II_Me_Cpstar II_Me_Cpstar_spbs
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/23526
Program: Gaussian 09
Author: García, Cristina
Formula: C 20.0 H 27.0 N 1.0 O 4.0 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 -1243.3679806 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
0.2718 -7.5551 4.4335 8.7641

Quadrupole moment

XX YY ZZ XY XZ YZ
-116.6428 -140.9389 -154.2290 1.7190 1.1315 7.0881

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