ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: 1 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: -1556.64727305 Eh

Energy Value Units
HF -1556.647273 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-9.2132 11.2568 -0.3744 14.5513

Quadrupole moment

XX YY ZZ XY XZ YZ
-138.8090 -17.2136 -170.6946 -31.6131 -12.5529 5.1912

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