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: -1074.28683307 Eh

Energy Value Units
HF -1074.2868331 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-7.1374 -3.5754 -2.3322 8.3166

Quadrupole moment

XX YY ZZ XY XZ YZ
-116.6656 -103.3775 -33.6830 -3.2129 -38.9954 -11.5239

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