(H2O)(HCl)2                                            Mon Mar 14 08:56:45 2011
  14  433   11    0    0.0000E+000    1.0000E+001    1.0000E+000 1.0000000000
a 44 1 0 , , , -3 , 1.0, 1.0, , , 1 ,,,,,,,,,,
        10000  4.719319436979643E+003 1.00000000E+000 /A
        20000  2.066488277521793E+003 1.00000000E+000 /B
        30000  1.435037832784098E+003 1.00000000E+000 /C
          200 -3.528981819568639E-003 1.00000000E+000 /-DJ
         1100 -6.026340396389144E-003 1.00000000E+000 /-DJK
         2000 -2.353120816939379E-002 1.00000000E+000 /-DK
        40100 -1.083013510421887E-003 1.00000000E+000 /-dJ
        41000 -9.487819960846085E-003 1.00000000E+000 /-dK
    110010000 -6.559981008531659E+001 1.00000000E+000 /1.5*Xaa
    110040000 -3.182375442584966E+000 1.00000000E+000 /(Xb-Xc)/4
    110610000  2.676768939405526E+001 1.00000000E+002 /chiab
    220010000  2.669161547013420E+001 1.00000000E+000 /1.5*Xaa
    220040000 -1.825309241501494E+001 1.00000000E+000 /(Xb-Xc)/4
    220610000  2.114787998343255E+001 1.00000000E+002 /chiab
!
!-------------------------------------------------------------------------------
!  Final: with corrected deltaK index
!
!                              RMS ERROR=        0.79200         0.79200
!
 (H2O)(HCl)2                                            Mon Mar 14 08:56:45 2011
  14  433   11    0    0.0000E+000    1.0000E+001    1.0000E+000 1.0000000000
a 44 1 0 , , , -3 , 1.0, 1.0, , , 1 ,,,,,,,,,,
        10000  4.719319436979643E+003 1.00000000E+000 /A
        20000  2.066488277521793E+003 1.00000000E+000 /B
        30000  1.435037832784098E+003 1.00000000E+000 /C
          200 -3.528981819568639E-003 1.00000000E+000 /-DJ
         1100 -6.026340396389144E-003 1.00000000E+000 /-DJK
         2000 -2.353120816939379E-002 1.00000000E+000 /-DK
        40100 -1.083013510421887E-003 1.00000000E+000 /-dJ
        41000 -9.487819960846085E-003 1.00000000E+000 /-dK
    110010000 -6.559981008531659E+001 1.00000000E+000 /1.5*Xaa
    110040000 -3.182375442584966E+000 1.00000000E+000 /(Xb-Xc)/4
    110610000  2.676768939405526E+001 1.00000000E+002 /chiab
    220010000  2.669161547013420E+001 1.00000000E+000 /1.5*Xaa
    220040000 -1.825309241501494E+001 1.00000000E+000 /(Xb-Xc)/4
    220610000  2.114787998343255E+001 1.00000000E+002 /chiab
!
!-------------------------------------------------------------------------------
!  Change to DIAG=1 for more sensible labelling (17 lines needed to be
!  relabelled)
!
!                              RMS ERROR=        0.79207         0.79207
!
 (H2O)(HCl)2                                            Mon Feb 28 14:19:39 2011
  14  433   11    0    0.0000E+000    1.0000E+001    1.0000E+000 1.0000000000
a 44 1 0 , , , -3 , 1.0, 1.0, , , 1 ,,,,,,,,,,
        10000  4.719321953530764E+003 1.00000000E+000 /A
        20000  2.066468288629468E+003 1.00000000E+000 /B
        30000  1.435055797869821E+003 1.00000000E+000 /C
          200 -3.024499777993825E-003 1.00000000E+000 /-DJ
         1100 -9.052897661543552E-003 1.00000000E+000 /-DJK
         2000 -2.100902795950124E-002 1.00000000E+000 /-DK
        40100 -1.082991538385329E-003 1.00000000E+000 /-dJ
        50000 -2.521775171651907E-004 1.00000000E+000 /-dK
    110010000 -6.559968820972745E+001 1.00000000E+000 /1.5*Xaa
    110040000 -3.182377541395141E+000 1.00000000E+000 /(Xb-Xc)/4
    110610000  2.676923029242430E+001 1.00000000E+002 /chiab
    220010000  2.669322279662682E+001 1.00000000E+000 /1.5*Xaa
    220040000 -1.825311113108189E+001 1.00000000E+000 /(Xb-Xc)/4
    220610000  2.115327079171637E+001 1.00000000E+002 /chiab
!
!-------------------------------------------------------------------------------
!  Final check:
!
!                              RMS ERROR=        0.79387         0.79387
!
 (H2O)(HCl)2                                            Mon Feb 28 10:50:16 2011
  14  433    3    0    0.0000E+000    1.0000E+001    1.0000E+000 1.0000000000
a 44 1 0 , , , -3 , 1.0, 1.0, , , 0 ,,,,,,,,,,
        10000  4.719321957736143E+003 1.00000000E+000 /A
        20000  2.066468301910396E+003 1.00000000E+000 /B
        30000  1.435055792390645E+003 1.00000000E+000 /C
          200 -3.024555230294423E-003 1.00000000E+000 /-DJ
         1100 -9.052630681735258E-003 1.00000000E+000 /-DJK
         2000 -2.100965384547641E-002 1.00000000E+000 /-DK
        40100 -1.083095537663532E-003 1.00000000E+000 /-dJ
        50000 -2.521688844604091E-004 1.00000000E+000 /-dK
    110010000 -6.560011808526119E+001 1.00000000E+000 /1.5*Xaa
    110040000 -3.182447987773685E+000 1.00000000E+000 /(Xb-Xc)/4
    110610000  2.675702987948697E+001 1.00000000E+002 /chiab
    220010000  2.669129262760602E+001 1.00000000E+000 /1.5*Xaa
    220040000 -1.825308226575251E+001 1.00000000E+000 /(Xb-Xc)/4
    220610000  2.117214428971274E+001 1.00000000E+002 /chiab
!
!-------------------------------------------------------------------------------