GENERAL INFO

Title: TS_C_F_acc_c7_me
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/216090
Program: Gaussian 16 ES64L-G16RevA.03
Author: Laconsay, Croix
Formula: C19H24O9Rh2
Calculation type: Single point Structure
Method(s):

ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: 0 1

JOB |

Energies

Energy Value Units
SCF Done: -1637.50870519 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
4.2205 -1.0792 0.2386 4.3628

Quadrupole moment

XX YY ZZ XY XZ YZ
-203.3529 -192.6936 -181.4499 -8.0591 6.1918 5.0086

Report data Creative Commons License
This HTML file Creative Commons License