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: -1139.80019888 Eh

Energy Value Units
HF -1139.8001989 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
0.8619 0.0364 2.9637 3.0867

Quadrupole moment

XX YY ZZ XY XZ YZ
-131.4987 -117.4734 -62.6769 -1.4624 0.0335 1.0551

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