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: -930.134780148 Eh

Energy Value Units
HF -930.1347801 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-0.0003 4.7370 0.0013 4.7370

Quadrupole moment

XX YY ZZ XY XZ YZ
-40.3086 -39.8557 -59.6110 -0.0003 -0.0001 -0.0002

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