ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: 0 1

Polarizable Continuum Model (PCM)

Model: PCM
Atomic radii UFF
Solvent Dichloromethane
Eps= 8.930000
Eps(inf)= 2.028346

JOB |

Energies

Energy Value Units
SCF Done: -26176.2701858 Eh

Energy Value Units
HF -26176.2701858 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
5.4057 -4.6327 -0.5840 7.1432

Quadrupole moment

XX YY ZZ XY XZ YZ
-349.3856 -352.1825 -336.3327 -0.5176 0.7353 -19.4796

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