Error Message from Task 0:: No such file or directory


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11:44:49 PM PDT - Wed, Sep 10th 2014
$ cat testnw2.nw
start feco5

  1. Fe(CO)5 ... there are two symmetry distinct types of CO molecules

geometry units au
 symmetry group d3h



 fe 0.0 0.0 0.0



 c 0.0 0.0 3.414358

 o 0.0 0.0 5.591323



 c 2.4417087 2.4417087 0.0

 o 3.9810552 3.9810552 0.0
end

basis
 fe library 3-21g

 o  library 3-21g

 c  library 3-21g
end

basis "cd basis"
 o library "DGauss A1 DFT Coulomb Fitting"

 c library "DGauss A1 DFT Coulomb Fitting"

fe library "DGauss A1 DFT Coulomb Fitting"
end

dft
 xc becke88 lyp
end

task dft