ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: 0 1

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: -692.816361592 Eh

Energy Value Units
HF -692.8163616 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
14.7354 -0.0218 0.0000 14.7355

Quadrupole moment

XX YY ZZ XY XZ YZ
-34.5805 -23.1983 -23.1971 -0.0468 0.0000 0.0000

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