(H2O)5...H35Cl ionic Fri Aug 23 23:17:14 2024 17 118 20 0 0.0000E+000 3.5000E+001 1.0000E+000 1.0000000000 a 4 1 0 ,,,,,,,,,,,,,,,,,, 10000 1.546572991387579E+003 1.00000000E+001 /A 20000 1.047501947900132E+003 1.00000000E+001 /B 30000 7.627183372862178E+002 1.00000000E+001 /C 200 -1.063613988929635E-003 1.00000000E+001 /-DeltaJ 1100 1.872848605771348E-003 1.00000000E+001 /-DeltaJK 2000 -3.580194372376451E-003 1.00000000E+001 /-DeltaK 40100 -2.731684640267541E-005 1.00000000E+001 /-deltaJ 41000 -1.557110578665613E-003 1.00000000E+001 /-deltaK 300 0.000000000000000E+000 1.00000000E-037 /PhiJ 1200 0.000000000000000E+000 1.00000000E-037 /PhiJK 2100 0.000000000000000E+000 1.00000000E-037 /PhiKJ 3000 0.000000000000000E+000 1.00000000E-037 /PhiK 110010000 3.133035495876704E+000 1.00000000E+001 /1.5*Xaa 110040000 -3.725994102643766E+000 1.00000000E+001 /(Xb-Xc)/4 110610000 0.000000000000000E+000 1.00000000E-037 /chiab 110410000 0.000000000000000E+000 1.00000000E-037 /chiac 110210000 4.321901116371912E+000 1.00000000E+003 /chibc ! !----------------------------------------------------------------------- ! Fit to original Hamburg data with A-reduction parameters ! as converted from PGOPHER to SPFIT ! ! MICROWAVE RMS = 0.004558 MHz ! RMS ERROR= 0.45579 0.45579 ! (H2O)5...H35Cl ionic Fri Aug 23 23:17:14 2024 17 118 20 0 0.0000E+000 3.5000E+001 1.0000E+000 1.0000000000 a 4 1 0 ,,,,,,,,,,,,,,,,,, 10000 1.546572991387579E+003 1.00000000E+001 /A 20000 1.047501947900132E+003 1.00000000E+001 /B 30000 7.627183372862178E+002 1.00000000E+001 /C 200 -1.063613988929635E-003 1.00000000E+001 /-DeltaJ 1100 1.872848605771348E-003 1.00000000E+001 /-DeltaJK 2000 -3.580194372376451E-003 1.00000000E+001 /-DeltaK 40100 -2.731684640267541E-005 1.00000000E+001 /-deltaJ 41000 -1.557110578665613E-003 1.00000000E+001 /-deltaK 300 0.000000000000000E+000 1.00000000E-037 /PhiJ 1200 0.000000000000000E+000 1.00000000E-037 /PhiJK 2100 0.000000000000000E+000 1.00000000E-037 /PhiKJ 3000 0.000000000000000E+000 1.00000000E-037 /PhiK 110010000 3.133035495876704E+000 1.00000000E+001 /1.5*Xaa 110040000 -3.725994102643766E+000 1.00000000E+001 /(Xb-Xc)/4 110610000 0.000000000000000E+000 1.00000000E-037 /chiab 110410000 0.000000000000000E+000 1.00000000E-037 /chiac 110210000 4.321901116371912E+000 1.00000000E+003 /chibc ! !-----------------------------------------------------------------------