ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: 1 1

Polarizable Continuum Model (PCM)

Model: PCM (using non-symmetric T matrix)
Atomic radii UFF
Solvent Dichloromethane
Eps= 8.930000
Eps(inf)= 2.028346

JOB |

Energies

Energy Value Units
SCF Done: -869.626309255 Eh

Energy Value Units
HF -869.6263093 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
0.2214 -0.7480 0.5851 0.9751

Quadrupole moment

XX YY ZZ XY XZ YZ
-93.3750 -85.8298 -37.9187 0.6180 -0.0976 -7.4439

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