ATOM INFO

Atomic coordinates [Å] (optimized)

MOLECULAR INFO

Charge / Multiplicity: 1 2

Full point group

Full point group CS NOp 2

JOB |

Energies

Energy Value Units
SCF Done: -2385.55100109 Eh

Spin

S^2

S**2 before annihilation = 0.8031

Dipole moment (Debye)

Dipole moment

X Y Z Total
-0.8328 -1.0800 0.0000 1.3638

Quadrupole moment

XX YY ZZ XY XZ YZ
-117.2034 -147.5417 -115.7417 -3.1442 0.0000 0.0000

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