(H2O)(HCl)2 37Cl1 Mon Mar 14 09:44:20 2011 14 278 11 0 0.0000E+000 5.0000E+000 1.0000E+000 1.0000000000 a 44 1 0 , , , -3 , 1.0, 1.0, , , 1 ,,,,,,,,,, 10000 4.705479466409018E+003 1.00000000E+001 /A 20000 2.006571490050097E+003 1.00000000E+001 /B 30000 1.404635296085504E+003 1.00000000E+001 /C 200 -3.329474053416884E-003 1.00000000E+001 /-DJ 1100 -6.311516874051801E-003 1.00000000E+001 /-DJK 2000 -2.264107943815073E-002 1.00000000E+001 /-DK 40100 -9.920761036312220E-004 1.00000000E+001 /-dJ 41000 -9.129086757515625E-003 1.00000000E+001 /-dK 110010000 -5.097192337894771E+001 1.00000000E+001 /1.5*Xaa 110040000 -2.628619990336263E+000 1.00000000E+001 /(Xb-Xc)/4 110610000 2.144732128299499E+001 1.00000000E+001 /chiab 220010000 2.733254920880316E+001 1.00000000E+001 /1.5*Xaa 220040000 -1.835964381815911E+001 1.00000000E+001 /(Xb-Xc)/4 220610000 2.013821221642819E+001 1.00000000E+001 /chiab ! !------------------------------------------------------------------------------- ! Final: corrected deltaK index ! ! RMS ERROR= 0.86199 0.86199 ! (H2O)(HCl)2 37Cl1 Mon Mar 14 09:44:20 2011 14 278 11 0 0.0000E+000 5.0000E+000 1.0000E+000 1.0000000000 a 44 1 0 , , , -3 , 1.0, 1.0, , , 1 ,,,,,,,,,, 10000 4.705479466409018E+003 1.00000000E+001 /A 20000 2.006571490050097E+003 1.00000000E+001 /B 30000 1.404635296085504E+003 1.00000000E+001 /C 200 -3.329474053416884E-003 1.00000000E+001 /-DJ 1100 -6.311516874051801E-003 1.00000000E+001 /-DJK 2000 -2.264107943815073E-002 1.00000000E+001 /-DK 40100 -9.920761036312220E-004 1.00000000E+001 /-dJ 41000 -9.129086757515625E-003 1.00000000E+001 /-dK 110010000 -5.097192337894771E+001 1.00000000E+001 /1.5*Xaa 110040000 -2.628619990336263E+000 1.00000000E+001 /(Xb-Xc)/4 110610000 2.144732128299499E+001 1.00000000E+001 /chiab 220010000 2.733254920880316E+001 1.00000000E+001 /1.5*Xaa 220040000 -1.835964381815911E+001 1.00000000E+001 /(Xb-Xc)/4 220610000 2.013821221642819E+001 1.00000000E+001 /chiab ! !-------------------------------------------------------------------------------