GENERAL INFO

Title: /Paper/Outputs_Inputs_CGET/TSCH_4 TSCH_4_spbs
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/23649
Program: Gaussian 09
Author: García, Cristina
Formula: C 14.0 H 15.0 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 -1007.3757035 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
1.0934 -4.0015 5.0534 6.5379

Quadrupole moment

XX YY ZZ XY XZ YZ
-92.0739 -104.3677 -118.2276 9.8419 14.2345 -1.7492

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