SMD (Solvation Model Based on Density) Model

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Gets Around
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Posts 133
You are trying to run the sample input on this page: http://www.nwchem-sw.org/index.php/Release65:SMD_Model

I don't know why but NWChem doesn't like the title. If I remove the title line it runs normally.
echo 
start
charge -1
geometry nocenter
C    0.512211   0.000000  -0.012117
C   -1.061796   0.000000  -0.036672
O   -1.547400   1.150225  -0.006609
O   -1.547182  -1.150320  -0.006608
F    1.061911   1.087605  -0.610341
F    1.061963  -1.086426  -0.612313
F    0.993255  -0.001122   1.266928
symmetry c1
end
basis
* library 6-31G*
end
dft
 XC m06-2x
end
cosmo
 do_cosmo_smd true
 solvent water
end
task dft energy


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