nwchem-data 6.3+r1-1build1 / usr / share / nwchem / solvents / thfs.rst

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Restart file
 
 
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         2         7        15      1733
         2         7        16      1766
         2         7        17      1862
         2         8        15      1945
         2         8        16      2028
         2         8        17      2114
         3        10        15      2197
         3        10        16      2279
         3        11        15      2388
         3        11        16      2473
         4        13        15      2564
         4        13        16      2649
         4        14        15      2766
         4        14        16      2855

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