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: -228.697805534 Eh

Energy Value Units
HF -228.6978055 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
1.4373 4.8833 0.0318 5.0905

Quadrupole moment

XX YY ZZ XY XZ YZ
-36.2716 -32.1244 -25.6217 1.1867 0.3175 -0.1847

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