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: -216.555485693 Eh

Energy Value Units
HF -216.5554857 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-0.0160 6.0290 0.0004 6.0290

Quadrupole moment

XX YY ZZ XY XZ YZ
-114.1993 -88.7562 -78.6060 -0.0398 0.0000 0.0012

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