ATOM INFO

Atomic coordinates [Å] (optimized)

MOLECULAR INFO

Charge / Multiplicity: 0 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: -307.747447502 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
0.3273 0.5593 1.6459 1.7689

Quadrupole moment

XX YY ZZ XY XZ YZ
-33.8358 -30.1520 -20.9972 2.2995 8.3876 20.5851

Report data Creative Commons License
This HTML file Creative Commons License