GENERAL INFO

Title: /Paper/Outputs_Inputs_CGET/TS_H_Cpstar_II_III TS_H_Cpstar_II_III_spbs
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/23550
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 -1204.0187228 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-2.4231 -8.3457 3.4516 9.3507

Quadrupole moment

XX YY ZZ XY XZ YZ
-116.7669 -140.7393 -142.4471 -7.1547 5.5575 2.2327

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