GENERAL INFO

Title: /HFIP_FES/Cl Cl_sp_hfip
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/302062
Program: Gaussian 16 ES64L-G16RevC.01
Author: Nelson, David
Formula: Cl
Calculation type: Single point Structure
Method(s): RMN15

ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: -1 1

Polarizable Continuum Model (PCM)
Model: PCM
Atomic radii SMD-Coulomb.
Solvent Generic
Eps= 16.700000
Eps(inf)= 1.625625

JOB |

Energies

Energy Value Units
SCF Done: -460.285485806 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
0.0000 0.0000 -0.0000 0.0000

Quadrupole moment

XX YY ZZ XY XZ YZ
-17.0132 -17.0132 -17.0132 -0.0000 -0.0000 -0.0000

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