ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: -1 1

Polarizable Continuum Model (PCM)

Model: PCM (using non-symmetric T matrix)
Atomic radii SMD-Coulomb.
Solvent Chloroform
Eps= 4.711300
Eps(inf)= 2.090627

JOB |

Energies

Energy Value Units
SCF Done: -1126.68760449 Eh

Energy Value Units
HF -1126.6876045 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
8.4689 -4.2439 2.4203 9.7771

Quadrupole moment

XX YY ZZ XY XZ YZ
-163.2114 -130.2397 -139.7877 26.4794 -1.3007 3.4608

Report data Creative Commons License
This HTML file Creative Commons License