setting up and running mac binary

echo
title "total energy of benzene, B3LYP/3-21G"

start c6h6-b3lyp
scratch_dir /Users/wamsergroup/Desktop/scratch
permanent_dir /Users/wamsergroup/Desktop/perm

geometry

C    0.99261000     0.99261000     0.00000000

C   -1.35593048     0.36332048     0.00000000

C    0.36332048    -1.35593048     0.00000000

C   -0.99261000    -0.99261000     0.00000000

C    1.35593048    -0.36332048     0.00000000

C   -0.36332048     1.35593048     0.00000000

H    1.75792000     1.75792000     0.00000000

H   -2.40136338     0.64344338     0.00000000

H    0.64344338    -2.40136338     0.00000000

H   -1.75792000    -1.75792000     0.00000000

H    2.40136338    -0.64344338     0.00000000

H   -0.64344338     2.40136338     0.00000000

end

basis

• library 3-21G
  

end

dft

 xc b3lyp

end

task dft energy

task dft optimize

task dft freq

warning:::::::::::::: from_compile

 NWCHEM_BASIS_LIBRARY is: </Users/d3p852/Documents/nwchem-6.0/src/basis/libraries/>

 but file does not exist or you do not have access to it !

Summary of "ao basis" -> "" (cartesian)

------------------------------------------------------------------------------

      Tag                 Description            Shells   Functions and Types

---------------- ------------------------------  ------  ---------------------

*                           3-21G                    on all atoms 

                                NWChem DFT Module

                                -----------------

                      total energy of benzene, B3LYP/3-21G

Attempting to read a basis set from a  non-existing file:

/Users/d3p852/Documents/nwchem-6.0/src/basis/libraries/3-21g                                                                                                                                                                                                   

------------------------------------------------------------------------

bas_tag_lib: failed opening basis file        0

------------------------------------------------------------------------

------------------------------------------------------------------------

 current input line : 

   30: task dft energy

------------------------------------------------------------------------

------------------------------------------------------------------------

There is an error in the specified basis set

------------------------------------------------------------------------

[/quote]

Those paths are definitely not the ones on this machine, and the correct ones were set in the .nwchemrc file. I was thinking this might simply be because I have .nwchemrc in the wrong directory (Applications/nwchem-6.0-binary/etc rather than ./bin). But I'd thought I'd ask in case there might be some other reason.