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: -709.339386559 Eh

Energy Value Units
HF -709.3393866 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
0.0084 0.0141 4.6566 4.6566

Quadrupole moment

XX YY ZZ XY XZ YZ
-111.4806 -111.4772 -136.5911 0.0009 -0.0467 -0.0799

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