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: -1061.40074547 Eh

Energy Value Units
HF -1061.4007455 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-5.6585 8.0154 0.4556 9.8221

Quadrupole moment

XX YY ZZ XY XZ YZ
-108.3529 -29.5285 -120.4935 -13.7357 0.1633 -2.7024

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