ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: 0 1

Polarizable Continuum Model (PCM)

Model: PCM
Atomic radii SMD-Coulomb.
Solvent Dichloromethane
Eps= 8.930000
Eps(inf)= 2.028346

JOB |

Energies

Energy Value Units
SCF Done: -427.809060208 Eh

Energy Value Units
HF -427.8090602 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-0.5793 2.4377 -1.8498 3.1144

Quadrupole moment

XX YY ZZ XY XZ YZ
-67.1690 -71.9584 -79.6844 -2.3110 -1.5240 10.6256

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