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: -908.162138699 Eh

Energy Value Units
HF -908.1621387 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-0.0033 4.0044 0.0007 4.0044

Quadrupole moment

XX YY ZZ XY XZ YZ
-32.8302 -30.7435 -58.1611 -0.0108 0.0001 -0.0001

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