GENERAL INFO

Title: /Paper/Outputs_Inputs_CGET/III_H_CPstar III_H_Cpstar_spbs
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/23512
Program: Gaussian 09
Author: García, Cristina
Formula: C 19.0 H 25.0 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 -1204.0459132 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-3.5265 1.8382 4.9398 6.3416

Quadrupole moment

XX YY ZZ XY XZ YZ
-118.5949 -128.2317 -148.3208 1.6301 7.5985 -6.0762

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