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 Toluene
Eps= 2.374100
Eps(inf)= 2.238315

JOB |

Energies

Energy Value Units
SCF Done: -1132.19065802 Eh

Energy Value Units
HF -1132.190658 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
0.7310 1.3130 2.4534 2.8771

Quadrupole moment

XX YY ZZ XY XZ YZ
-91.3152 -80.3671 -128.9271 20.1523 9.2263 5.5491

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