GENERAL INFO

Title: /Paper/Outputs_Inputs_CGET/TSCH_Inter TSCH_Inter_spbs
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/23460
Program: Gaussian 09
Author: García, Cristina
Formula: C 16.0 H 18.0 N 1.0 O 6.0 Rh 1.0
Calculation type: Single point Structure
Method(s): RwB97XD

ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: 0 1

JOB |

Energies


Energy Value Units
HF -1236.0334127 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
9.9778 -13.7708 1.4716 17.0692

Quadrupole moment

XX YY ZZ XY XZ YZ
-136.0850 -153.2121 -152.4493 -3.2616 15.1067 11.0858

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