ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: 0 1

Polarizable Continuum Model (PCM)

Model: PCM (using non-symmetric T matrix)
Atomic radii SMD-Coulomb.
Solvent Chloroform
Eps= 4.711300
Eps(inf)= 2.090627

JOB |

Energies

Energy Value Units
SCF Done: -1839.00894838 Eh

Energy Value Units
HF -1839.0089484 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
2.0213 -0.9053 -1.6849 2.7828

Quadrupole moment

XX YY ZZ XY XZ YZ
-204.2941 -235.4970 -227.7966 9.7458 12.4693 -26.2919

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