GENERAL INFO

Title: /GROUP_B/Triplet 14-Pyridine_anion(4-C-1)
Browse item: https://iochem.udg.edu:8443/browse/handle/100/4295
Program: Gaussian 16 ES64L-G16RevB.01
Author: Escayola, Silvia
Formula: C5H4N
Calculation type: Single point Structure
Method(s): UCAM-B3LYP

ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: -1 3

Full point group
Full point group C2V NOp 4

JOB |

Energies

Energy Value Units
SCF Done: -247.491384473 Eh

Energy Value Units
HF -247.4913845 Eh

Dipole moment (Debye)

Dipole moment

X Y Z Total
0.0000 0.0000 -0.6583 0.6583

Quadrupole moment

XX YY ZZ XY XZ YZ
-44.7429 -41.4433 -52.7407 -0.0000 -0.0000 -0.0000

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