GENERAL INFO

Title: /GROUP_C/Triplet 21
Browse item: https://iochem.udg.edu:8443/browse/handle/100/4328
Program: Gaussian 16 ES64L-G16RevB.01
Author: Escayola, Silvia
Formula: C4H13Cl2NOsP3
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 C1 NOp 1

JOB |

Energies

Energy Value Units
SCF Done: -2250.27891216 Eh

Energy Value Units
HF -2250.2789122 Eh

Dipole moment (Debye)

Dipole moment

X Y Z Total
17.5855 -0.0034 0.2619 17.5875

Quadrupole moment

XX YY ZZ XY XZ YZ
-49.2339 -93.1461 -117.8527 -0.0092 3.7334 0.1013

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