H2+-BLOCKED-PURIFY-BLOCKED.inp    1     8e-13
2H2O-BLOCKED-PURIFY-OFF.inp       1     3e-14
2H2O-BLOCKED-PURIFY-FULL.inp      1     5e-14
2H2O-BLOCKED-PURIFY-BLOCKED.inp    1     3e-14
MD-1.inp                          1     7e-13
MD-2_OT.inp                             1  1E-10
MD-2_no_OT.inp                          1
