ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: 0 1

Full point group

Full point group CS NOp 2

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: -56.5626100691 Eh

Energy Value Units
HF -56.5626101 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-0.0008 -2.1581 0.0000 2.1581

Quadrupole moment

XX YY ZZ XY XZ YZ
-6.2500 -9.9751 -6.2515 -0.0024 0.0000 0.0000

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