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: -1074.34816286 Eh

Energy Value Units
HF -1074.3481629 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-0.3872 2.2470 0.5804 2.3529

Quadrupole moment

XX YY ZZ XY XZ YZ
-96.5711 -144.3089 -123.8085 -5.0866 8.1608 6.8345

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