Hi,

I'm trying to extract the "valence" and "all" NBO from my gaussian 09 calculation using cubegen to then load into VMD. Unfortunately, if I supply MO=valence or MO=all, I get a floating point exception. It works for HOMO, LUMO and Virtual. 

The Gaussian commands were:

%chk=BM_Cu_carb_higher_nbo.chk

# wb97xd/6-311++g(d,p) geom=allcheck guess=read pop=(nbo,savenbos)

I then converted the checkpoint file using:

formchk BM_Cu_carb_higher_nbo.chk

I then tried extracting the orbital data:

cubegen 0 MO=Valence BM_Cu_carb_higher_nbo.fchk BM_Cu_carb_higher_nbo-all.cub -2 h

Which simply returns with:

Floating point exception

Any ideas?

Thanks