ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: 0 1

Full point group

Full point group C1 NOp 1

Polarizable Continuum Model (PCM)

Model: C-PCM
Atomic radii UFF
Solvent HFIP
Eps= 16.700000
Eps(inf)= 1.625625

JOB |

Energies

Energy Value Units
SCF Done: -1377.63375503 Eh

Energy Value Units
HF -1377.633755 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-3.4421 0.0158 3.4968 4.9067

Quadrupole moment

XX YY ZZ XY XZ YZ
-162.6041 -128.1910 -167.0770 -3.0777 27.1153 2.4135

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