(H2O)5...H37Cl ionic Fri Aug 23 23:17:17 2024 17 47 20 0 0.0000E+000 3.5000E+001 1.0000E+000 1.0000000000 a 4 1 0 ,,,,,,,,,,,,,,,,,, 10000 1.519398815356339E+003 1.00000000E+001 /A 20000 1.045554605517822E+003 1.00000000E+001 /B 30000 7.570829264957159E+002 1.00000000E+001 /C 200 -9.496362890063521E-004 1.00000000E+001 /-DeltaJ 1100 1.317969892026258E-003 1.00000000E+001 /-DeltaJK 2000 -2.928071000595079E-003 1.00000000E+001 /-DeltaK 40100 0.000000000000000E+000 1.00000000E-037 /-deltaJ 41000 -7.285424768317476E-004 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 2.451743822448500E+000 1.00000000E+001 /1.5*Xaa 110040000 -2.891340560518927E+000 1.00000000E+001 /(Xb-Xc)/4 110610000 0.000000000000000E+000 1.00000000E-037 /chiab 110410000 0.000000000000000E+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)5...H37Cl ionic Fri Aug 23 23:17:17 2024 17 47 20 0 0.0000E+000 3.5000E+001 1.0000E+000 1.0000000000 a 4 1 0 ,,,,,,,,,,,,,,,,,, 10000 1.519398815356339E+003 1.00000000E+001 /A 20000 1.045554605517822E+003 1.00000000E+001 /B 30000 7.570829264957159E+002 1.00000000E+001 /C 200 -9.496362890063521E-004 1.00000000E+001 /-DeltaJ 1100 1.317969892026258E-003 1.00000000E+001 /-DeltaJK 2000 -2.928071000595079E-003 1.00000000E+001 /-DeltaK 40100 0.000000000000000E+000 1.00000000E-037 /-deltaJ 41000 -7.285424768317476E-004 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 2.451743822448500E+000 1.00000000E+001 /1.5*Xaa 110040000 -2.891340560518927E+000 1.00000000E+001 /(Xb-Xc)/4 110610000 0.000000000000000E+000 1.00000000E-037 /chiab 110410000 0.000000000000000E+000 1.00000000E-037 /chiac 110210000 0.000000000000000E+000 1.00000000E-037 /chibc ! !-----------------------------------------------------------------------