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: -1003.14828971 Eh

Energy Value Units
HF -1003.1482897 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
0.0200 -0.0019 -0.0050 0.0207

Quadrupole moment

XX YY ZZ XY XZ YZ
-81.0316 -73.4513 -84.3917 2.8791 16.8681 2.0293

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