ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: 0 1

Polarizable Continuum Model (PCM)

Model: PCM (using non-symmetric T matrix)
Atomic radii SMD-Coulomb.
Solvent Dichloromethane
Eps= 8.930000
Eps(inf)= 2.028346

JOB |

Energies

Energy Value Units
SCF Done: -3463.82496053 Eh

Energy Value Units
HF -3463.8249605 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-5.5716 -28.3331 -7.8626 29.9270

Quadrupole moment

XX YY ZZ XY XZ YZ
-413.2893 -383.6069 -287.2624 -91.8086 -20.3338 -26.8202

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