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: -1116.72172989 Eh

Energy Value Units
HF -1116.7217299 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-0.5264 5.3103 0.0482 5.3366

Quadrupole moment

XX YY ZZ XY XZ YZ
-119.1147 -110.6924 -61.2736 2.0191 -2.1868 22.4328

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