- #1
Lika
- 1
- 0
Dear all,
I need some help with Gaussian. I would like to know if it is possible to make cube file of the density of the single molecular orbital in Gaussian (not just overall or alpha and beta spin density) and if it is possible, wuold you be so kind to tell me how to do that?
And also, is it possible to print exchange integrals between individual MOs (not only overall exchange integral) in the output? I tried to find the answers, but I haven't succeeded.
Thanks in advance,
Greetings!
Lika
I need some help with Gaussian. I would like to know if it is possible to make cube file of the density of the single molecular orbital in Gaussian (not just overall or alpha and beta spin density) and if it is possible, wuold you be so kind to tell me how to do that?
And also, is it possible to print exchange integrals between individual MOs (not only overall exchange integral) in the output? I tried to find the answers, but I haven't succeeded.
Thanks in advance,
Greetings!
Lika