Hello

Recently I’ve been using CASSCF in Gaussian 09 to calculate spin orbit coupling on H2CO as a test sample, later it will be used for large compounds.

The route section is:

#P CASSCF(4,6,NRoot=5,SpinOrbit) Guess=Only

The output file is attached.

I am expecting to have the following results:

Magnitude in x-direction= 0.0 cm-1

Magnitude in y-direction= 0.0 cm-1

Magnitude in z-direction= 0.8 cm-1

Total magnitude= 0.8 cm-1

MCSCF converged.

But for some reason i can’t find them in the output file.

Can you please explain what's wrong? Is it the input?

I would really appreciate the help

Note: you can find attached the output file.