ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: 0 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: -1345.54506159 Eh

Energy Value Units
HF -1345.5450616 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
4.6714 7.9686 -2.5276 9.5765

Quadrupole moment

XX YY ZZ XY XZ YZ
-148.8755 -137.5479 -173.9380 -8.9900 4.2152 13.7581

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