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: -471.809510980 Eh

Energy Value Units
HF -471.809511 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-0.0001 -0.0189 8.6376 8.6376

Quadrupole moment

XX YY ZZ XY XZ YZ
-42.2723 -42.2721 -54.3084 -0.0002 -0.0008 0.0280

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