How to obtain atomic charge distribution for a molecule?

1

I have performed a trial calculation using formaldehyde but i do not know how to obtain the charge distribution on the atoms.

this is the code:

form = ‘’’
0 1
C -5.56991 2.18028 0.00000
O -4.49991 2.18028 0.00000
H -6.08591 2.95433 0.44678
H -6.08591 1.40623 -0.44678
‘’’
formal_geom = psi4.geometry(geom = formal, name=‘formal’)
energy, wfn = psi4.energy(‘scf/6-311+G(2d,p)’, molecule=formal_geom, return_wfn=True)

How to atomic charge distribution?

2

Dear Himada,

For computing partial atomic charges, I use the following lines in my input, which you can adopt for your input:

energy, wavefunction = optimize(‘scf’, return_wfn=True)
oeprop(wavefunction, ‘MULLIKEN_CHARGES’, title=‘molecule’)
oeprop(wavefunction, ‘LOWDIN_CHARGES’, title=‘molecule’)

Hope this helps.
Best regards,
Karl