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: -1140.06684184 Eh

Energy Value Units
HF -1140.0668418 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
0.0732 2.7178 -2.2481 3.5279

Quadrupole moment

XX YY ZZ XY XZ YZ
-119.3755 -66.7452 -127.1896 9.3157 -1.6693 -6.7990

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