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: -885.721864905 Eh

Energy Value Units
HF -885.7218649 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
0.6859 -0.9249 3.1514 3.3552

Quadrupole moment

XX YY ZZ XY XZ YZ
-87.8703 -44.9328 -85.6697 1.6944 -1.7869 -6.1944

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