GENERAL INFO

Title: DMA_C1_3_5_TS2_MN15_def2-SVP
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/251057
Program: Gaussian 16 ES64L-G16RevC.01
Author: Ahmed, Yusef
Formula: C12H20Cl2N2Pd
Calculation type: Single point Structure
Method(s):

ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: 0 1

Full point group
Full point group C1 NOp 1

JOB |

Energies

Energy Value Units
SCF Done: -1625.05616980 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-2.8205 3.5218 1.2650 4.6859

Quadrupole moment

XX YY ZZ XY XZ YZ
-88.8085 -137.8231 -137.8391 -4.5415 -2.9676 5.7521

Report data Creative Commons License
This HTML file Creative Commons License