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: -292.108692117 Eh

Energy Value Units
HF -292.1086921 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
0.0001 0.0000 -2.9727 2.9727

Quadrupole moment

XX YY ZZ XY XZ YZ
-74.9894 -74.9886 -76.9560 0.0001 0.0000 0.0000

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