ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: -2 1

Full point group

Full point group C1 NOp 1

Polarizable Continuum Model (PCM)

Model: PCM (using non-symmetric T matrix)
Atomic radii UFF
Solvent Water
Eps= 78.355300
Eps(inf)= 1.777849

JOB |

Energies

Energy Value Units
SCF Done: -2021.79099424 Eh

Energy Value Units
HF -2021.7909942 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
5.8735 -0.0015 0.0124 5.8735

Quadrupole moment

XX YY ZZ XY XZ YZ
-106.6391 -88.3290 -88.3069 0.0013 -0.0165 -0.0024

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