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: -1060.86435561 Eh

Energy Value Units
HF -1060.8643556 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-0.7294 0.2530 -1.6303 1.8039

Quadrupole moment

XX YY ZZ XY XZ YZ
-107.1708 -115.9029 -56.1629 -1.6818 -9.3408 4.5355

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