GENERAL INFO

Title: /Paper/Outputs_Inputs_CGET/TS_F_Cpstar_II_III TS_F_Cpstar_II_III_spbs
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/23497
Program: Gaussian 09
Author: García, Cristina
Formula: C 19.0 H 24.0 F 1.0 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 -1303.2572297 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
4.4701 -8.1664 -2.0172 9.5258

Quadrupole moment

XX YY ZZ XY XZ YZ
-132.8522 -145.9665 -144.9442 0.1094 -1.0825 -3.3677

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