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 1-Hexanol
Eps= 12.510000
Eps(inf)= 2.010157

JOB |

Energies

Energy Value Units
SCF Done: -3182.35912093 Eh

Energy Value Units
HF -3182.3591209 Eh

Dipole moment (Debye)

Dipole moment

X Y Z Total
26.3353 -18.8505 -17.5058 36.8150

Quadrupole moment

XX YY ZZ XY XZ YZ
-807.6795 -654.0891 -718.5356 98.0162 148.2288 -92.5239

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