(H2O)4...H37Cl covalent Fri Aug 23 23:17:06 2024 17 60 20 0 0.0000E+000 3.5000E+001 1.0000E+000 1.0000000000 a 4 1 0 ,,,,,,,,,,,,,,,,,, 10000 2.551563425266367E+003 1.00000000E+001 /A 20000 9.846391928090228E+002 1.00000000E+001 /B 30000 8.351725755301218E+002 1.00000000E+001 /C 200 -2.385740275218559E-003 1.00000000E+001 /-DeltaJ 1100 1.020327220302367E-002 1.00000000E+001 /-DeltaJK 2000 0.000000000000000E+000 1.00000000E-037 /-DeltaK 40100 -1.326267246543642E-004 1.00000000E+001 /-deltaJ 41000 0.000000000000000E+000 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 -1.533268534790625E+001 1.00000000E+001 /1.5*Xaa 110040000 -1.214644095111847E-001 1.00000000E+001 /(Xb-Xc)/4 110610000 2.050735070958878E+001 1.00000000E+001 /chiab 110410000 2.208143413080124E+001 1.00000000E+001 /chiac 110210000 -1.543737496395194E+001 1.00000000E+001 /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)4...H37Cl covalent Fri Aug 23 23:17:06 2024 17 60 20 0 0.0000E+000 3.5000E+001 1.0000E+000 1.0000000000 a 4 1 0 ,,,,,,,,,,,,,,,,,, 10000 2.551563425266367E+003 1.00000000E+001 /A 20000 9.846391928090228E+002 1.00000000E+001 /B 30000 8.351725755301218E+002 1.00000000E+001 /C 200 -2.385740275218559E-003 1.00000000E+001 /-DeltaJ 1100 1.020327220302367E-002 1.00000000E+001 /-DeltaJK 2000 0.000000000000000E+000 1.00000000E-037 /-DeltaK 40100 -1.326267246543642E-004 1.00000000E+001 /-deltaJ 41000 0.000000000000000E+000 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 -1.533268534790625E+001 1.00000000E+001 /1.5*Xaa 110040000 -1.214644095111847E-001 1.00000000E+001 /(Xb-Xc)/4 110610000 2.050735070958878E+001 1.00000000E+001 /chiab 110410000 2.208143413080124E+001 1.00000000E+001 /chiac 110210000 -1.543737496395194E+001 1.00000000E+001 /chibc ! !-----------------------------------------------------------------------