[CP2K-user] [CP2K:20723] Negative HOMO - LUMO gap

[Theoretical Molecular Modeling (Cp2k, Gaussian09, Olex2)]

When I calculate the HOMO-LUMO energy of the complex structure that is the 
DNA-ligand interaction, the result is negative (HOMO - LUMO gap [eV] :   
-0.011312). I used both PBE and BLYP sets and both of them were negative. 
What is the reason for this? I kindly ask for your help. The input and 
complex structure are attached.
Many thanks


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