ATOM INFO

MOLECULAR INFO

Charge / Multiplicity: 0 1

Full point group

Full point group D*H NOp 8

Polarizable Continuum Model (PCM)

Model: PCM
Atomic radii SMD-Coulomb.
Solvent Water
Eps= 78.355300
Eps(inf)= 1.777849

JOB |

Energy Value Units
SCF Done: -1.17268420649 Eh

Dipole moment

X Y Z Total
0.0000 0.0000 0.0000 0.0000

Quadrupole moment

XX YY ZZ XY XZ YZ
-2.3244 -2.3244 -1.6242 0.0000 0.0000 0.0000