d6 high spin Tanabe-Sugano diagram
A Tanabe-Sugano diagram of some spin-allowed and forbidden transitions for high spin octahedral d6 complexes is given below.
spin-allowed transitions
5Eg(D) ← 5T2g Red
spin-forbidden transitions
dotted lines
1T1g(I) ← 5T2g Dk green
1A1g(I) ← 5T2g Purple
3T2g(F) ← 5T2g Blue
3Eg(H) ← 5T2g Gray
3T1g(H) ← 5T2g Lt green
3T2g(H) ← 5T2g Orange
3T1g(H) ← 5T2g Teal

Select the region of interest (usually between 0-18 Δ /B) then click on the curve to get values. See the instructions for more information.

For the d6 high spin case, the ground term is 5T2g which is plotted along the X-axis. The only spin-allowed transition is to the 5Eg level which is the red line.

The low-energy spin-forbidden transitions arising from the 3H, 3F and 1I terms are shown as well (teal, orange, gray, gold, blue, purple and light green).

If the spin-allowed energy Peak 1 is at cm-1 and the ratio of the energies (νf3 {T1g(H)}/ν1) is then
to find where this ratio falls on the Tanabe-Sugano diagram and get the predicted value of B' and the energy of the transitions.
Initial output is:

From this a JCAMP-DX file can be created suitable for plotting with MDL CHIME

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Copyright © 2013 by Robert John Lancashire, all rights reserved.

Created and maintained by Prof. Robert J. Lancashire,
The Department of Chemistry, University of the West Indies,
Mona Campus, Kingston 7, Jamaica.
Created Dec 2003. Links checked and/or last modified 2nd June 2013.
URL http://wwwchem.uwimona.edu.jm/courses/Tanabe-Sugano/TanSugd6hs.html