ATOM INFO

Atomic coordinates [Å] (optimized)

MOLECULAR INFO

Charge / Multiplicity: 0 1

Full point group

Full point group C1 NOp 1

JOB |

Energies

Energy Value Units
SCF Done: -2715.72354807 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
0.2071 3.9580 -0.8683 4.0574

Quadrupole moment

XX YY ZZ XY XZ YZ
-297.8860 -319.4911 -330.5651 7.5974 18.4683 24.7807

Report data Creative Commons License
This HTML file Creative Commons License