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: -1061.43739667 Eh

Energy Value Units
HF -1061.4373967 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
1.1588 -0.1494 0.3463 1.2186

Quadrupole moment

XX YY ZZ XY XZ YZ
-114.2276 -71.5741 -109.1822 -2.1038 2.9148 -3.5081

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