ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: -1 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: -1766.17357185 Eh

Energy Value Units
HF -1766.1735719 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
1.9224 1.4510 -0.7041 2.5094

Quadrupole moment

XX YY ZZ XY XZ YZ
-101.7971 -90.7584 -97.4899 -2.4595 -13.0055 -1.5083

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