(H2O)7...H37Cl ionic Fri Aug 23 23:17:29 2024 17 44 20 0 0.0000E+000 3.5000E+001 1.0000E+000 1.0000000000 a 4 1 0 ,,,,,,,,,,,,,,,,,, 10000 9.141316333309849E+002 1.00000000E+001 /A 20000 7.253182863383692E+002 1.00000000E+001 /B 30000 6.782469463005482E+002 1.00000000E+001 /C 200 -1.479524214379088E-004 1.00000000E-037 /-DeltaJ 1100 4.167393076675101E-004 1.00000000E-037 /-DeltaJK 2000 -5.028992471298765E-004 1.00000000E-037 /-DeltaK 40100 3.047874536043691E-005 1.00000000E-037 /-deltaJ 41000 -6.925069237649707E-004 1.00000000E-037 /-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 1.558884064145283E+000 1.00000000E+001 /1.5*Xaa 110040000 6.116534894703236E-001 1.00000000E+001 /(Xb-Xc)/4 110610000 0.000000000000000E+000 1.00000000E-037 /chiab 110410000 2.200000000000000E+000 1.00000000E-037 /chiac 110210000 0.000000000000000E+000 1.00000000E-037 /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)7...H37Cl ionic Fri Aug 23 23:17:29 2024 17 44 20 0 0.0000E+000 3.5000E+001 1.0000E+000 1.0000000000 a 4 1 0 ,,,,,,,,,,,,,,,,,, 10000 9.141316333309849E+002 1.00000000E+001 /A 20000 7.253182863383692E+002 1.00000000E+001 /B 30000 6.782469463005482E+002 1.00000000E+001 /C 200 -1.479524214379088E-004 1.00000000E-037 /-DeltaJ 1100 4.167393076675101E-004 1.00000000E-037 /-DeltaJK 2000 -5.028992471298765E-004 1.00000000E-037 /-DeltaK 40100 3.047874536043691E-005 1.00000000E-037 /-deltaJ 41000 -6.925069237649707E-004 1.00000000E-037 /-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 1.558884064145283E+000 1.00000000E+001 /1.5*Xaa 110040000 6.116534894703236E-001 1.00000000E+001 /(Xb-Xc)/4 110610000 0.000000000000000E+000 1.00000000E-037 /chiab 110410000 2.200000000000000E+000 1.00000000E-037 /chiac 110210000 0.000000000000000E+000 1.00000000E-037 /chibc !-----------------------------------------------------------------------