ATOM INFO

Atomic coordinates [Å] (optimized)

MOLECULAR INFO

Charge / Multiplicity: 0 1

Frozen section

Polarizable Continuum Model (PCM)

Model: PCM (using non-symmetric T matrix)
Atomic radii UFF
Solvent C60
Eps= 4.080000
Eps(inf)= 3.830000

JOB |

Energies

Energy Value Units
SCF Done: -5056.75384126 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
2.7918 -0.7407 -1.6035 3.3036

Quadrupole moment

XX YY ZZ XY XZ YZ
-754.4536 -745.0039 -757.6334 16.4679 5.0989 3.7375

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