Multiwfn forum

I have 4 coronene structures. One is only the coronene, and the other 3 are functionalized with: Only an OH groups (Cor-OH); Only an epoxy group (Cor-ep), and only a -COOH group (Cor-cooh).
I want to do a electron-hole analysis to characterize the td-dft absorption bands i obtained (If it's n - > pi*, pi -> pi*).
However, i'd also like to compare how the functional group affects the fluorescence of this structure.
To do so, i wanted to compare the charge density difference isosurfaces, to show the localization of electron and hole, and also the Dindex and transition dipole moment.

My question is: In the Cor-OH groups, the highest oscillator strength is in the S9 excitation, in the Cor-Ep is in the S12 and the Cor-COOH is the S11 excitation. I compared them, and all of them are LE excitations. Can i compare the transition dipole moments and the Dindex to try to compare which structure would have a greater emission in the fluorescence spectra?
Or do i have to pick the same excitation (Ex: The S1 excitation of all structures) to properly compare them? The S1 excitation i obtained for them are not observed experimentally, which is why i'm not using it.

I am studying the PDOS (Partial Density of States) of a graphene oxide structure, with only hydroxyl groups.
To study the PDOS, it's useful to evaluate the charge transfer from the carbon to the OH functional group.
I understood how to perform the charge density difference map in a excitation process. But in my case, i just want to evaluate how the electron density is distributed towards that OH group.
1) Can i obtain the isosurface of charge density difference, in my case, using the method in 4.18.3 section.
2) Can i measure the amount of charge transfer (Q) from the carbon to the OH group using Multiwfn? I couldn't find something about this in the manual.

I am trying to analyse the electron-hole population for a pure graphene quantum dot (no functional group) and a graphene quantum dot with hydroxyls. I used M062X/6-31+G(d,p), and the hirshfeld method to calculate the electron-hole overlaps. To achieve this i used the output of the absorption calculation, which i used the following input, for both structures
#p td=(nstates=100, singlet) m062x/6-31+G(d,p) gfinput pop=FULL IOP(9/40=4) density=current

The result of the overlaps between electron and hole was higher for the pure graphene. And the transition dipole moments were:

Transition dipole moment in X/Y/Z:  -0.001971  -2.531006  -0.000003 a.u.  (Pure graphene)
Transition dipole moment in X/Y/Z:   0.090665   0.026479   0.361728 a.u  (Graphene with OH group)

But the experimentation shows that functionalized graphene has a higher fluorescence intensity. I have two questions:

1) I should've used the output of the fluorescence for this analysis?
2) The negative transition dipole moment of graphene means that the graphene with the OH graphene would have higher fluorescence intensity?

I am trying to analyze the orbitals that are involved in the absorption transitions of my TD-DFT analysis.
I used m062x/6-31G(d,p), under TD-DFT, to obtain the absorption spectrum of my molecule.
But i want to analyise, for example, if the transition in a certain wavelength is of the type "n->pi* or "pi->pi*".
Can the multiwfn do this type of analysis?