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: -1061.19775355 Eh

Energy Value Units
HF -1061.1977535 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
0.0278 -2.1085 -0.7853 2.2501

Quadrupole moment

XX YY ZZ XY XZ YZ
-108.6407 -70.6001 -113.1632 -4.4636 -0.6153 -3.8672

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