Pyruvic acid: v_23=1 E (10) Tue Nov 07 17:49:39 2006 21 276 15 0 0.0000E+000 4.0000E+000 1.0000E+000 1.0000000000 a 1 1 0, , , , , , , ,,,,, 10000 5.547829034105541E+003 1.00000000E+020 /A 20000 3.577355061684464E+003 1.00000000E+020 /B 30000 2.203647397427429E+003 1.00000000E+020 /C 200 -8.343406377318997E-004 1.00000000E+020 /-DJ 1100 8.818075328971557E-004 1.00000000E+020 /-DJK 2000 -7.712651954636746E-003 1.00000000E+020 /-DK 40100 -3.473492272086736E-004 1.00000000E+020 /-dJ 41000 -9.356109562668417E-004 1.00000000E+020 /-dK 300 1.000000000000000E-025 1.00000000E-030 /HJ 1200 1.000000000000000E-025 1.00000000E-030 /HJK 2100 1.000000000000000E-025 1.00000000E-030 /HKJ 3000 1.655270987429257E-006 1.00000000E+000 /HK 40200 1.000000000000000E-025 1.00000000E-030 /hJ 41100 1.000000000000000E-025 1.00000000E-030 /hJK 42000 3.525251174859667E-008 1.00000000E+000 /hK 200000 5.114867848282223E+002 1.00000000E+004 /Da 200100 -1.094392222925240E-001 1.00000000E+000 /DaJ 201000 1.000000000000000E-025 1.00000000E-030 /DaK 400000 3.833130203797091E+002 1.00000000E+004 /Db 400100 -3.571036234566789E-002 1.00000000E+002 /DbJ 401000 1.000000000000000E-025 1.00000000E-030 /DbK ! !------------------------------------------------------------------------------ ! Same lines as in the ERHAM fit ! Ka up to 14 ! ! 35 lines rejected ! ! Actually 35 zero frequency lines rejected ! 26 non-zero frequency lines ! ! RMS ERROR= 1.20820 1.20820 ! Pyruvic acid: v_23=1 E (10) Tue Nov 07 10:55:07 2006 21 276 15 0 0.0000E+000 4.0000E+000 1.0000E+000 1.0000000000 a 1 1 0, , , , , , , ,,,,, 10000 5.547837455140580E+003 1.00000000E+020 /A 20000 3.577350517419585E+003 1.00000000E+020 /B 30000 2.203647580940959E+003 1.00000000E+020 /C 200 -8.312872519011688E-004 1.00000000E+020 /-DJ 1100 8.859480778105221E-004 1.00000000E+020 /-DJK 2000 -7.784838198124174E-003 1.00000000E+020 /-DK 40100 -3.457945263176013E-004 1.00000000E+020 /-dJ 41000 -9.253791997471932E-004 1.00000000E+020 /-dK 300 1.000000000000000E-025 1.00000000E-030 /HJ 1200 1.000000000000000E-025 1.00000000E-030 /HJK 2100 1.000000000000000E-025 1.00000000E-030 /HKJ 3000 1.657345771476429E-006 1.00000000E+000 /HK 40200 1.000000000000000E-025 1.00000000E-030 /hJ 41100 1.000000000000000E-025 1.00000000E-030 /hJK 42000 3.579994562959125E-008 1.00000000E+000 /hK 200000 5.115189081005822E+002 1.00000000E+004 /Da 200100 -1.095124510653486E-001 1.00000000E+000 /DaJ 201000 1.000000000000000E-025 1.00000000E-030 /DaK 400000 3.831094090133610E+002 1.00000000E+004 /Db 400100 -3.545200142701047E-002 1.00000000E+002 /DbJ 401000 1.000000000000000E-025 1.00000000E-030 /DbK ! !------------------------------------------------------------------------------