H2+-BLOCKED-PURIFY-BLOCKED.inp                         1      8e-13           -0.49553675525916002
2H2O-BLOCKED-PURIFY-OFF.inp                            1      3e-14             -34.07703448824591
2H2O-BLOCKED-PURIFY-FULL.inp                           1      5e-14            -34.077112055408371
2H2O-BLOCKED-PURIFY-BLOCKED.inp                        1      3e-14             -34.07703448824591
MD-1.inp                                               1      2e-10            -8.0907001008828097
MD-2_OT.inp                                            1      1E-10            -8.0881569069021495
MD-2_no_OT.inp                                         1      2e-11            -8.0881759470416394
#EOF
