GENERAL INFO

Title: /GROUP_C/Triplet 20
Browse item: https://iochem.udg.edu:8443/browse/handle/100/4329
Program: Gaussian 16 ES64L-G16RevB.01
Author: Escayola, Silvia
Formula: C4H11Cl2NOsP2
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 C1 NOp 1

JOB |

Energies

Energy Value Units
SCF Done: -1907.97989858 Eh

Energy Value Units
HF -1907.9798986 Eh

Dipole moment (Debye)

Dipole moment

X Y Z Total
6.1280 -0.0010 0.2031 6.1313

Quadrupole moment

XX YY ZZ XY XZ YZ
-114.0676 -91.4464 -115.6171 0.0036 4.3177 0.0067

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