I repeat the calculation for two times bu your input provided here using NWCHEM6.8, and get the same error
...
d= 0,ls=0.3,diis 29 -82.8019645120 -6.09D-07 9.92D-06 7.68D-07 585.8
Total DFT energy = -82.801964959130
...
Multipole analysis of the density
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...
2 0 0 2 10.678693 -40.941532 -40.941532 92.561757
Task times cpu: 615.4s wall: 615.4s
NWChem Input Module
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NWChem DFT Module
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LiOH charge 0
bas_tag_lib: failed to locate basis li_aug-cc-pv5z in file /.../src/basis/libraries/
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bas_tag_lib: no such basis available 0
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current input line :
54: task dft energy
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bas_tag_lib: failed to locate basis li_aug-cc-pv5z in file /.../src/basis/libraries/
bas_tag_lib: no such basis available 0
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current input line :
0:
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There is an error in the input file
bas_tag_lib: failed to locate basis li_aug-cc-pv5z in file /.../src/basis/libraries/
bas_tag_lib: no such basis available 0
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which means the basis set requested is not available for Li.
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