ATOM INFO

Atomic coordinates [Å] (optimized)

MOLECULAR INFO

Charge / Multiplicity: 1 1

Full point group

Full point group C1 NOp 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: -3131.60992830 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
1.1901 -11.5569 -4.8002 12.5706

Quadrupole moment

XX YY ZZ XY XZ YZ
-293.9307 -288.8684 -335.3840 -18.1901 -8.4884 27.8500

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