ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: 1 1

Polarizable Continuum Model (PCM)

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

JOB |

Energies

Energy Value Units
SCF Done: -1345.97449268 Eh

Energy Value Units
HF -1345.9744927 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
0.5243 -3.2216 6.5256 7.2964

Quadrupole moment

XX YY ZZ XY XZ YZ
-149.6428 -138.2291 -68.4901 5.6709 -4.2691 40.5670

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