MOs decomposition using NBO analysis

[Jakub]

Dear developers and users,

I am wondering if it is possible to get MOs decomposition into contributions from different orbitals using Natural Population Analysis (NBO), as can be done with Mulliken analysis.

To be more clear I would like to get something like this but using NBO analysis.

Code: [Select]

=======================================
  MULLIKEN POPULATION ANALYSIS (CAO-BASIS)
=======================================
 
         BRUTTO POPULATIONS 
 
       values displayed are larger than   0.010000
 
 
 atomic populations from total density:
 
 atom      charge    n(s)      n(p)      n(d)      n(f)      n(g)
 226sn     1.76136   2.79182   7.11688  10.32994

Thank you very much in advance for an answer or suggestions.

My best regards,

Jakub

[Arnim]

I don't understand the question. It is given in the same format, if you switch on NBO:

atomic populations from total density:
atom          charge    n(s)      n(p)      n(d)      n(f)      n(g)
  1 o         -0.85170   3.74107   5.10436   0.00626   0.00000   0.00000

Cheers,
Arnim