ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: 0 1

Polarizable Continuum Model (PCM)

Model: PCM (using non-symmetric T matrix)
Atomic radii SMD-Coulomb.
Solvent Chloroform
Eps= 4.711300
Eps(inf)= 2.090627

JOB |

Energies

Energy Value Units
SCF Done: -268.431521184 Eh

Energy Value Units
HF -268.4315212 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-1.4324 -0.1436 3.3146 3.6137

Quadrupole moment

XX YY ZZ XY XZ YZ
-32.1873 -31.4017 -5.2478 -10.3185 3.3718 29.8194

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