How to make GAUSSVIEW read GAUSSIAN output

The logfile generated by GAUSSIAN has limitations on what data can be read by GAUSSVIEW. In particular, the Molecular Orbitals (and other surface data that give you pretty pictures) are available from the so-called ``cube files'' that you can generate in two ways :

1. you can create cube files manually at ABCC (using formchk and cubegen utilities), move them back to the SGI for visualization.

   formchk xxx.chk xxx.fchk
   cubegen 0 mo=the_mo_you_want xxx.fchk xxx.cub
   

   The ``0'' implies a machine-specific default value for the memory allocation. You can replace it by the amount of dynamic memory to allocate (in words). Replace the_mo_you_want by the molecular orbital number, or by keywords such as Homo, Lumo, All, OccA (all alpha occupied), OccB, Valence and Virtuals.

2. you could also add CUBE=orbitals to the route section of the input file and at the end of the input file a pair of lines containing orbitals.cub and HOMO LUMO. Then look at the file ``orbitals.cub'' with GAUSSVIEW on the SGI. The input file for GAUSSIAN will then look like:

   %chk=xxx.chk
   %mem=6MW
   %nproc=1
   
   #n HF/6-31G* Test  pop=full gfprint CUBE=orbitals
   [...coordinates generated by newzmat...]
   
   orbitals.cub
   LUMO HOMO