GENERAL INFO

Title: /GROUP_A/Singlet 2-Phosphorine
Browse item: https://iochem.udg.edu:8443/browse/handle/100/4324
Program: Gaussian 16 ES64L-G16RevB.01
Author: Escayola, Silvia
Formula: C5H5P
Calculation type: Single point Structure
Method(s): RCAM-B3LYP

ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: 0 1

Full point group
Full point group C2V NOp 4

JOB |

Energies

Energy Value Units
SCF Done: -534.825465262 Eh

Energy Value Units
HF -534.8254653 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
0.0000 0.0000 -1.7075 1.7075

Quadrupole moment

XX YY ZZ XY XZ YZ
-46.6669 -37.4876 -42.8112 0.0000 0.0000 0.0000

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