ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity:

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: -2234.25492151 Eh

Energy Value Units
HF -2234.2549215 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-3.2534 -6.6613 6.7033 9.9946

Quadrupole moment

XX YY ZZ XY XZ YZ
-339.4530 -317.0049 -376.3702 -5.4849 -48.6256 -8.8258

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