**Summary**

Use the

__Calculate Populations and Valences tool__to calculate populations and valences of atomic orbitals, atomic shells, atoms, molecular fragments.

For the population analisys Simple and Mulliken schemes are available.

**Usage**

To show the

__Calculate Populations and Valences tool__window click the menu

*Tools ---> Calculate Populations and Valences*;

- To the right of the appeared window select one of the calculations of your document;
- From the list below select "Calculate populations" or "Calculate valences".
- If this is an open-shell calculation then in the Spin section choose the populations types to be calculated: Alpha, Beta, Total(=Alpha+Beta), Spin(Alpha-Beta);
- In the
*Contributions types*section select calculation scheme: Simple or Mulliken (notice that for Mulliken-scheme overlap integrals must be calculated, so the coefficients matrix must be nonsingular); - In the print populations section choose print parameters (Atomic orbitals, AO shells, Atoms, molacular fragments).

Press the Save button in the lower right corner of the window to

**save the**calculation result into a text file.