ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: 2 1

Full point group

Full point group C1 NOp 1

JOB |

Energies

Energy Value Units
SCF Done: -1565.66726639 Eh

Energy Value Units
HF -1565.6672664 Eh

Spin

S^2

S**2 before annihilation = -0.0000

Dipole moment (Debye)

Dipole moment

X Y Z Total
1.9797 -0.6837 2.9111 3.5863

Quadrupole moment

XX YY ZZ XY XZ YZ
-100.6600 -89.5720 -149.0491 0.5319 26.7443 2.7785

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