ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: 0 3

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: -2194.87027189 Eh

Energy Value Units
HF -2194.8702719 Eh

Spin

S^2

S**2 before annihilation = 2.0125

Dipole moment (Debye)

Dipole moment

X Y Z Total
3.7773 -1.7534 -5.9097 7.2295

Quadrupole moment

XX YY ZZ XY XZ YZ
-285.7654 -359.9650 -373.3760 -5.2784 -1.9401 4.1172

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