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: -1839.00741884 Eh

Energy Value Units
HF -1839.0074188 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
0.9621 -1.4268 0.7109 1.8619

Quadrupole moment

XX YY ZZ XY XZ YZ
-212.9961 -247.9168 -210.6562 -0.5304 16.7207 -14.7111

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