ATOM INFO

Atomic coordinates [Å] (optimized)

MOLECULAR INFO

Charge / Multiplicity: 1 4

Full point group

Full point group CS NOp 2

JOB |

Energies

Energy Value Units
SCF Done: -2385.56129266 Eh

Spin

S^2

S**2 before annihilation = 3.7936

Dipole moment (Debye)

Dipole moment

X Y Z Total
0.7796 0.9214 0.0000 1.2070

Quadrupole moment

XX YY ZZ XY XZ YZ
-114.0468 -147.1374 -112.4891 -3.2679 0.0000 0.0000

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