(HDO)(HCl)2 Mon Mar 14 10:25:11 2011 14 98 11 0 0.0000E+000 4.0000E+002 1.0000E+000 1.0000000000 a 44 1 0 , , , -3 , 1.0, 1.0, , , 1 ,,,,,,,,,, 10000 4.587302324858739E+003 1.00000000E+001 /A 20000 2.067018114229743E+003 1.00000000E+001 /B 30000 1.422869427110981E+003 1.00000000E+001 /C 200 -2.935754708190247E-003 1.00000000E+000 /-DJ 1100 -7.290404512838696E-003 1.00000000E+000 /-DJK 2000 -1.790475912786102E-002 1.00000000E+000 /-DK 40100 -9.383399614645372E-004 1.00000000E+000 /-dJ 10000 -9.488000000000005E-003 1.00000000E-037 /-dK 110010000 -6.614000038095524E+001 1.00000000E+000 /1.5*Xaa 110040000 -3.123714395675262E+000 1.00000000E+000 /(Xb-Xc)/4 110610000 2.759099863629762E+001 1.00000000E+002 /chiab 220010000 2.610262930545045E+001 1.00000000E+000 /1.5*Xaa 220040000 -1.812683502477237E+001 1.00000000E+000 /(Xb-Xc)/4 220610000 2.108739462099348E+001 1.00000000E+002 /chiab ! !------------------------------------------------------------------------------- ! Final: after correction of the deltaK index ! ! RMS ERROR= 1.10450 1.10450 ! (HDO)(HCl)2 Mon Mar 14 10:25:11 2011 14 98 11 0 0.0000E+000 4.0000E+002 1.0000E+000 1.0000000000 a 44 1 0 , , , -3 , 1.0, 1.0, , , 1 ,,,,,,,,,, 10000 4.587302324858739E+003 1.00000000E+001 /A 20000 2.067018114229743E+003 1.00000000E+001 /B 30000 1.422869427110981E+003 1.00000000E+001 /C 200 -2.935754708190247E-003 1.00000000E+000 /-DJ 1100 -7.290404512838696E-003 1.00000000E+000 /-DJK 2000 -1.790475912786102E-002 1.00000000E+000 /-DK 40100 -9.383399614645372E-004 1.00000000E+000 /-dJ 10000 -9.488000000000005E-003 1.00000000E-037 /-dK 110010000 -6.614000038095524E+001 1.00000000E+000 /1.5*Xaa 110040000 -3.123714395675262E+000 1.00000000E+000 /(Xb-Xc)/4 110610000 2.759099863629762E+001 1.00000000E+002 /chiab 220010000 2.610262930545045E+001 1.00000000E+000 /1.5*Xaa 220040000 -1.812683502477237E+001 1.00000000E+000 /(Xb-Xc)/4 220610000 2.108739462099348E+001 1.00000000E+002 /chiab ! !-------------------------------------------------------------------------------