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: -1305.43694836 Eh

Energy Value Units
HF -1305.4369484 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-0.3499 -4.7884 0.9531 4.8949

Quadrupole moment

XX YY ZZ XY XZ YZ
-134.9323 -141.1720 -74.4011 -6.3260 -7.0239 -21.7997

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