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 Dichloromethane
Eps= 8.930000
Eps(inf)= 2.028346

JOB |

Energies

Energy Value Units
SCF Done: -2234.26320274 Eh

Energy Value Units
HF -2234.2632027 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-10.4418 -3.5677 3.0965 11.4607

Quadrupole moment

XX YY ZZ XY XZ YZ
-269.3981 -385.6153 -357.2517 16.8862 -22.6306 -4.2470

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