How to get NTO pictures or plots of molecules

Questions
#1

Hi,
I need help in knowing how to analyze and get the NTO pictures using iqmol.
I have generated ctnum_mulliken.om h2onto.inp h2onto.inp.fchk h2onto.out stdout.plots but further how to proceed?
In iqmol left hand side where all files are mention there is one option surfaces. Do I need to calculate those or something else I have to do?

Thanks and regards
Manisha

#2

Assuming you are doing TDDFT, then

$rem
CIS_AMPL_ANAL = TRUE
IQMOL_FCHK = TRUE
[other necessary options]

should do it, then load the .fchk file in IQmol and you should see surface plots titled things like ‘TDA.singlet.1’, etc.