(H2O)(HCl)2 37Cl1+37Cl2 Mon Mar 14 09:58:10 2011 14 80 5 0 0.0000E+000 1.0000E+006 1.0000E+000 1.0000000000 a 44 1 0 , , , -3 , 1.0, 1.0, , , 1 ,,,,,,,,,, 10000 4.666642198670433E+003 1.00000000E+000 /A 20000 1.957716679166582E+003 1.00000000E+000 /B 30000 1.377130278901647E+003 1.00000000E+000 /C 200 -3.260513392223765E-003 1.00000000E+000 /-DJ 1100 -5.220848011888902E-003 1.00000000E+000 /-DJK 2000 -2.264000000000000E-002 1.00000000E-037 /-DK 40100 -9.920000000000000E-004 1.00000000E-037 /-dJ 41000 -9.120000000000001E-003 1.00000000E-037 /-dK 110010000 -5.206551009449431E+001 1.00000000E+000 /1.5*Xaa 110040000 -2.463782519483572E+000 1.00000000E+000 /(Xb-Xc)/4 110610000 2.140000000000000E+001 1.00000000E-037 /chiab 220010000 2.078202137626290E+001 1.00000000E+000 /1.5*Xaa 220040000 -1.433262999619120E+001 1.00000000E+000 /(Xb-Xc)/4 220610000 1.770000000000000E+001 1.00000000E-037 /chiab ! !------------------------------------------------------------------------------- ! Final: after correction of the deltaK index ! ! RMS ERROR= 0.75961 0.75961 ! (H2O)(HCl)2 37Cl1+37Cl2 Mon Mar 14 09:58:10 2011 14 80 5 0 0.0000E+000 1.0000E+006 1.0000E+000 1.0000000000 a 44 1 0 , , , -3 , 1.0, 1.0, , , 1 ,,,,,,,,,, 10000 4.666642198670433E+003 1.00000000E+000 /A 20000 1.957716679166582E+003 1.00000000E+000 /B 30000 1.377130278901647E+003 1.00000000E+000 /C 200 -3.260513392223765E-003 1.00000000E+000 /-DJ 1100 -5.220848011888902E-003 1.00000000E+000 /-DJK 2000 -2.264000000000000E-002 1.00000000E-037 /-DK 40100 -9.920000000000000E-004 1.00000000E-037 /-dJ 41000 -9.120000000000001E-003 1.00000000E-037 /-dK 110010000 -5.206551009449431E+001 1.00000000E+000 /1.5*Xaa 110040000 -2.463782519483572E+000 1.00000000E+000 /(Xb-Xc)/4 110610000 2.140000000000000E+001 1.00000000E-037 /chiab 220010000 2.078202137626290E+001 1.00000000E+000 /1.5*Xaa 220040000 -1.433262999619120E+001 1.00000000E+000 /(Xb-Xc)/4 220610000 1.770000000000000E+001 1.00000000E-037 /chiab ! !------------------------------------------------------------------------------- ! more transitions and DJ and DJK ! values of fixed constants are the lowest out of parent and single 37Cl ! ! RMS ERROR= 0.76301 0.76301 ! (H2O)(HCl)2 37Cl1+37Cl2 Mon Feb 28 20:29:55 2011 14 80 5 0 0.0000E+000 1.0000E+006 1.0000E+000 1.0000000000 a 44 1 0 , , , -3 , 1.0, 1.0, , , 1 ,,,,,,,,,, 10000 4.666644367085127E+003 1.00000000E+000 /A 20000 1.957697228881600E+003 1.00000000E+000 /B 30000 1.377147638750323E+003 1.00000000E+000 /C 200 -2.814993969325724E-003 1.00000000E+000 /-DJ 1100 -7.917039357060738E-003 1.00000000E+000 /-DJK 2000 -2.035000000000000E-002 1.00000000E-037 /-DK 40100 -9.920000000000000E-004 1.00000000E-037 /-dJ 50000 -2.290000000000000E-004 1.00000000E-037 /-dK 110010000 -5.206591431737898E+001 1.00000000E+000 /1.5*Xaa 110040000 -2.463958271884061E+000 1.00000000E+000 /(Xb-Xc)/4 110610000 2.140000000000000E+001 1.00000000E-037 /chiab 220010000 2.078338621895676E+001 1.00000000E+000 /1.5*Xaa 220040000 -1.433236841460360E+001 1.00000000E+000 /(Xb-Xc)/4 220610000 1.770000000000000E+001 1.00000000E-037 /chiab ! !------------------------------------------------------------------------------- ! more transitions and DJ and DJK ! ! RMS ERROR= 0.77783 0.77783 ! (H2O)(HCl)2 37Cl1+37Cl2 Thu Aug 13 08:42:39 2009 14 64 5 0 0.0000E+000 1.0000E+006 1.0000E+000 1.0000000000 a 44 1 0 , , , -3 , 1.0, 1.0, , , 0 ,,,,,,,,,, 10000 4.666648149069702E+003 1.00000000E+000 /A 20000 1.957703824591690E+003 1.00000000E+000 /B 30000 1.377147509557380E+003 1.00000000E+000 /C 200 -2.940571826824409E-003 1.00000000E+000 /-DJ 1100 -7.893115462601899E-003 1.00000000E+000 /-DJK 2000 -2.102138608262052E-002 1.00000000E-037 /-DK 40100 -1.083887843952071E-003 1.00000000E-037 /-dJ 50000 -2.523490717301432E-004 1.00000000E-037 /-dK 110010000 -5.206824838413978E+001 1.00000000E+000 /1.5*Xaa 110040000 -2.459039941322397E+000 1.00000000E+000 /(Xb-Xc)/4 110610000 2.281406791245532E+001 1.00000000E-037 /chiab 220010000 2.078890599695838E+001 1.00000000E+000 /1.5*Xaa 220040000 -1.432513490633381E+001 1.00000000E+000 /(Xb-Xc)/4 220610000 1.801755234395703E+001 1.00000000E-037 /chiab ! !-------------------------------------------------------------------------------