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 Dichloromethane
Eps= 8.930000
Eps(inf)= 2.028346

JOB |

Energies

Energy Value Units
SCF Done: -720.148544405 Eh

Energy Value Units
HF -720.1485444 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
3.4908 -3.1347 3.8928 6.0964

Quadrupole moment

XX YY ZZ XY XZ YZ
-69.4236 -119.0395 -92.9104 -22.9097 17.9328 3.9033

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