ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity:

Polarizable Continuum Model (PCM)

Model: PCM (using non-symmetric T matrix)
Atomic radii SMD-Coulomb.
Solvent Dichloromethane
Eps= 8.930000
Eps(inf)= 2.028346

JOB |

Energies

Energy Value Units
SCF Done: -2194.93039896 Eh

Energy Value Units
HF -2194.930399 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
5.0742 -8.4279 9.9917 14.0218

Quadrupole moment

XX YY ZZ XY XZ YZ
-331.6986 -326.2655 -392.6819 -22.2033 -20.6158 -10.7138

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