(H2O)2...H37Cl: weaker = 37W Thu May 14 15:01:52 2015 11 26 10 0 0.0000E+000 1.0000E+001 1.0000E+000 1.0000000000 a 4 1 0 ,,,,,,,,,,,,,,,,,, 10000 6.870262504522111E+003 1.00000000E+001 /A 20000 3.115223604417880E+003 1.00000000E+001 /B 30000 2.147913275560670E+003 1.00000000E+001 /C 200 -9.595114529384252E-003 1.00000000E+000 /-DJ 1100 1.110000000000000E-003 1.00000000E-037 /-DJK 2000 -4.510000000000000E-002 1.00000000E-037 /-DK 40100 -2.944008960537730E-003 1.00000000E+000 /-deltaJ 41000 -2.207292769907590E-002 1.00000000E+000 /-deltaK 110010000 -1.700600407331230E+001 1.00000000E+001 /(3/2)X_a 110040000 -7.651583394694040E+000 1.00000000E+001 /X(b-c)/4 110610000 -2.973914239009820E+001 1.00000000E+001 /chi_ab ! !------------------------------------------------------------------------------- ! reproducing the old fit ! ! RMS ERROR= 1.83781 1.83781 ! (H2O)2...H37Cl: weaker = 37W Thu May 14 15:01:52 2015 11 26 10 0 0.0000E+000 1.0000E+001 1.0000E+000 1.0000000000 a 4 1 0 ,,,,,,,,,,,,,,,,,, 10000 6.870262504522111E+003 1.00000000E+001 /A 20000 3.115223604417880E+003 1.00000000E+001 /B 30000 2.147913275560670E+003 1.00000000E+001 /C 200 -9.595114529384252E-003 1.00000000E+000 /-DJ 1100 1.110000000000000E-003 1.00000000E-037 /-DJK 2000 -4.510000000000000E-002 1.00000000E-037 /-DK 40100 -2.944008960537730E-003 1.00000000E+000 /-deltaJ 41000 -2.207292769907590E-002 1.00000000E+000 /-deltaK 110010000 -1.700600407331230E+001 1.00000000E+001 /(3/2)X_a 110040000 -7.651583394694040E+000 1.00000000E+001 /X(b-c)/4 110610000 -2.973914239009820E+001 1.00000000E+001 /chi_ab ! !------------------------------------------------------------------------------- ! legacy ! (H2O)2...H37Cl: weaker = 37W 17 150 10 0 .1000E-11 .3000E+22 .1000E+01 1.0000000000 a 4 1 0 ,,,,,,,,,,,,,,,,,, 10000 .687026250452211E+04 .99999997E+19 20000 .311522360441788E+04 .99999997E+19 30000 .214791327556067E+04 .99999997E+19 200 -.959511452938425E-02 .99999997E+00 1100 .111000000000000E-02 .99999997E-19 2000 -.451000000000000E-01 .99999997E-19 40100 -.294400896053773E-02 .99999997E+00 41000 -.220729276990759E-01 .99999997E+00 110010000 -.170060040733123E+02 .99999997E+19 110040000 -.765158339469404E+01 .99999997E+19 110610000 -.297391423900982E+02 .99999997E+02 ! !-------------------------------------------------------------------------------