ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: 0 1

Polarizable Continuum Model (PCM)

Model: PCM (using non-symmetric T matrix)
Atomic radii SMD-Coulomb.
Solvent o-Xylene
Eps= 2.545400
Eps(inf)= 2.266530

JOB |

Energies

Energy Value Units
SCF Done: -1070.22280587 Eh

Energy Value Units
HF -1070.2228059 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
1.0253 -4.1361 -2.2901 4.8377

Quadrupole moment

XX YY ZZ XY XZ YZ
-140.4735 -152.2169 -148.8840 10.4335 7.4789 -10.9581

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