ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: 1 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: -3070.09189619 Eh

Energy Value Units
HF -3070.0918962 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-1.9269 6.1155 -1.4847 6.5816

Quadrupole moment

XX YY ZZ XY XZ YZ
-297.0559 -306.4976 -271.9321 1.7649 42.6718 -21.7067

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