GENERAL INFO

Title: /GROUP_B/Triplet 17-1,4-Phenyl_Dianion
Browse item: https://iochem.udg.edu:8443/browse/handle/100/4334
Program: Gaussian 16 ES64L-G16RevB.01
Author: Escayola, Silvia
Formula: C6H4
Calculation type: Single point Structure
Method(s): UCAM-B3LYP

ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: -2 3

Full point group
Full point group D2H NOp 8

JOB |

Energies

Energy Value Units
SCF Done: -230.606915077 Eh

Energy Value Units
HF -230.6069151 Eh

Dipole moment (Debye)

Dipole moment

X Y Z Total
0.0000 0.0000 0.0000 0.0000

Quadrupole moment

XX YY ZZ XY XZ YZ
-55.8457 -59.0993 -79.7456 -0.0000 0.0000 -0.0000

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