H2O...HCl, C.s: all measured isotopomers 6 1 0 0 0 0.0 .000000 .000000 34.968853 2 1 0 0 1.2746 .000000 .000000 1.007825 3 2 1 0 1.9257 180.000001 .000000 15.994915 4 3 2 1 1. 145.000000 180.000000 0.000001 5 3 4 2 0.957850 52.271000 90.000000 1.007825 6 3 4 2 0.957850 52.271000 270.000000 1.007825 ! ! Only four adjustable parameters resulting in an r_m^(L) geometry: ! (both d.H parameters start from zero initial values) ! NO OF PARAMETERS TO BE FITTED: 4 atom no., parameter no. 3 1 0 1.932554 atom no., parameter no. 4 2 0 136.624632 Laurie d.H for HCl bond -6 2 0 0.010156 Laurie d.H for OH bond -6 5 1 0.214709 6 ! ! All available constants from Z.Kisiel, B.A.Pietrewicz, P.W.Fowler, ! A.C.Legon, E.Steiner, ! J.Phys.Chem A 104, 6970-6978 (2000) ! ! (B+C) is used for isotopomers for which separate values for B and C could ! not be determined ! ! isotopomer 1 is the parent: H2 16O...H 35Cl ! NO OF CONSTANTS TO BE FITTED: 26 constant,species,value 2 1 3931.2969 constant,species,value 3 1 3891.5897 constant,species,value 2 2 3737.3681 constant,species,value 3 2 3685.1472 constant,species,value 2 3 3566.6757 constant,species,value 3 3 3505.3014 constant,species,value 2 4 3859.2996 constant,species,value 3 4 3821.0251 constant,species,value 4 5 7282.9996 constant,species,value 2 6 3497.0884 constant,species,value 3 6 3438.0605 constant,species,value 2 7 3686.5033 constant,species,value 3 7 3651.6208 constant,species,value 2 8 3614.3822 constant,species,value 3 8 3580.8447 constant,species,value 2 9 3936.4945 constant,species,value 3 9 3897.0580 constant,species,value 210 3743.3401 constant,species,value 310 3691.3001 constant,species,value 211 3573.1312 constant,species,value 311 3511.9903 constant,species,value 212 3863.9645 constant,species,value 312 3825.9572 constant,species,value 413 7294.2764 constant,species,value 214 3503.2142 constant,species,value 314 3444.4196 ! ! 2 = HD 16O...H 35Cl ! NO OF CHANGES FROM PARENT SP.: 1 atom no.,parameter no.,value 5 4 2.014102 ! ! 3 = D2 16O...H 35Cl ! NO OF CHANGES FROM PARENT SP.: 2 atom no.,parameter no.,value 5 4 2.014102 atom no.,parameter no.,value 6 4 2.014102 ! ! 4 = H2 16O...H 37Cl ! NO OF CHANGES FROM PARENT SP.: 1 atom no.,parameter no.,value 1 4 36.9659026 ! ! 5 = HD 16O...H 37Cl ! NO OF CHANGES FROM PARENT SP.: 2 atom no.,parameter no.,value 1 4 36.9659026 atom no.,parameter no.,value 5 4 2.014102 ! ! 6 = D2 16O...H 37Cl ! NO OF CHANGES FROM PARENT SP.: 3 atom no.,parameter no.,value 1 4 36.9659026 atom no.,parameter no.,value 5 4 2.014102 atom no.,parameter no.,value 6 4 2.014102 ! ! 7 = H2 18O...H 35Cl ! NO OF CHANGES FROM PARENT SP.: 1 atom no.,parameter no.,value 3 4 17.9991594 ! ! 8 = H2 18O...H 37Cl ! NO OF CHANGES FROM PARENT SP.: 2 atom no.,parameter no.,value 3 4 17.9991594 atom no.,parameter no.,value 1 4 36.9659026 ! ! 9 = H2 16O...D 35Cl ! NO OF CHANGES FROM PARENT SP.: 1 atom no.,parameter no.,value 2 4 2.014102 ! ! 10 = HD 16O...D 35Cl ! NO OF CHANGES FROM PARENT SP.: 2 atom no.,parameter no.,value 2 4 2.014102 atom no.,parameter no.,value 5 4 2.014102 ! ! 11 = D2 16O...D 35Cl ! NO OF CHANGES FROM PARENT SP.: 3 atom no.,parameter no.,value 2 4 2.014102 atom no.,parameter no.,value 5 4 2.014102 atom no.,parameter no.,value 6 4 2.014102 ! ! 12 = H2 16O...D 37Cl ! NO OF CHANGES FROM PARENT SP.: 2 atom no.,parameter no.,value 2 4 2.014102 atom no.,parameter no.,value 1 4 36.9659026 ! ! 13 = HD 16O...D 37Cl ! NO OF CHANGES FROM PARENT SP.: 3 atom no.,parameter no.,value 2 4 2.014102 atom no.,parameter no.,value 1 4 36.9659026 atom no.,parameter no.,value 5 4 2.014102 ! ! 14 = D2 16O...D 37Cl ! NO OF CHANGES FROM PARENT SP.: 4 atom no.,parameter no.,value 2 4 2.014102 atom no.,parameter no.,value 1 4 36.9659026 atom no.,parameter no.,value 5 4 2.014102 atom no.,parameter no.,value 6 4 2.014102 ------------------------------------------------------------------------------- Fit V, Table 6: ------------------------------------------------------------------------------- R( 3, 2) = 1.932553 +- 0.000314 OCl = 3.2072(3) A( 4, 3, 2) = 136.624640 +- 0.195827 phi = 43.38(20) Laurie d_H( 2, 1) = 0.010156 +- 0.000250 Laurie d_H( 5, 3) = 0.214717 +- 0.003455 and at N= 6 Chi-squared = 0.0057966925 Deviation of fit = 0.016232 -------------------------------------------------------------------------------