GENERAL INFO

Title: /GROUP_B/Triplet 12-1,4-Azaphosphinine
Browse item: https://iochem.udg.edu:8443/browse/handle/100/4297
Program: Gaussian 16 ES64L-G16RevB.01
Author: Escayola, Silvia
Formula: C4H4NP
Calculation type: Single point Structure
Method(s): UCAM-B3LYP

ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: 0 3

Full point group
Full point group C2V NOp 4

JOB |

Energies

Energy Value Units
SCF Done: -550.735622266 Eh

Energy Value Units
HF -550.7356223 Eh

Dipole moment (Debye)

Dipole moment

X Y Z Total
-0.0000 0.0000 -2.1942 2.1942

Quadrupole moment

XX YY ZZ XY XZ YZ
-46.8721 -35.0107 -44.4488 0.0000 0.0000 -0.0000

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