Dear Users and Developers of Turbomole,

I wonder what is the criterium of single reference ground state WF in a CC2 calculation.

In my case I have D1 diagnostic of 0.1372, which is somewhat larger than it normally should

be in the case of single reference ground state. Would calculation of CC2 natural occupations

and the D2 diagnostic help to clarify it?

Best regards,

Evgeniy