ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: 0 1

Full point group

Full point group C1 NOp 1

JOB |

Energies

Energy Value Units
SCF Done: -791.080765823 Eh

Energy Value Units
HF -791.0807658 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
1.5296 -0.9671 -0.0613 1.8107

Quadrupole moment

XX YY ZZ XY XZ YZ
-111.5543 -102.3629 -115.2946 5.3012 0.5301 -0.5845

Report data Creative Commons License
This HTML file Creative Commons License