Angelo
I am posting an example of two input files for computing first the DFT "scf part" and then properties.
Please not the use of the line start he2 in the first input and restart he2 in the second input. The restart keyword does the trick of re-using all the files generated in the first step. I assume that you run calculations 1) and 2) in the
same directory and that none of the files generated in run no. 1 have been deleted prior to run no. 2
Input file no. 1
start he2
geometry
he 0. 0. 0.
he 0. 0. 1.
end
basis
* library 6-31g*
end
task dft energy
Input file no. 2
restart he2
property
mulliken
end
task dft property
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