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: -1061.32576907 Eh

Energy Value Units
HF -1061.3257691 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-1.7133 -2.8202 -3.0796 4.5136

Quadrupole moment

XX YY ZZ XY XZ YZ
-101.3748 -104.8520 -101.1282 10.0677 -3.7032 -13.8103

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