ATOM INFO

Atomic coordinates [Å] (optimized)

MOLECULAR INFO

Charge / Multiplicity:

Polarizable Continuum Model (PCM)

Model: PCM
Atomic radii UFF
Solvent n,n-DiMethylAcetamide
Eps= 37.781000
Eps(inf)= 2.067844

JOB |

Energies

Energy Value Units
SCF Done: -6267.36901769 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
119.3935 -132.6312 -22.2824 179.8398

Quadrupole moment

XX YY ZZ XY XZ YZ
-2079.0141 -3200.6407 -909.1862 1731.3087 659.2172 -747.5760

JOB |

Energies

Energy Value Units
SCF Done: -6267.36901769 Eh


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