Pyruvic acid: v_24=1 A (01)                            Tue Nov 07 16:22:23 2006
  15  548   15    0    0.0000E+000    4.0000E+000    1.0000E+000 1.0000000000
a 1  1 0,  ,  ,  ,     ,     ,  ,  ,,,,,
        10000  5.531785034913692E+003 1.00000000E+020 /A
        20000  3.569850426340187E+003 1.00000000E+020 /B
        30000  2.207257002706192E+003 1.00000000E+020 /C
          200 -6.183538096790288E-004 1.00000000E+020 /-DJ
         1100  1.181314195369532E-003 1.00000000E+020 /-DJK
         2000 -1.493473566265778E-003 1.00000000E+020 /-DK
        40100 -2.319990093906307E-004 1.00000000E+020 /-dJ
        41000 -1.033504908289847E-004 1.00000000E+020 /-dK
          300 -1.477203586670567E-009 1.00000000E+000 /HJ
         1200 -5.381309751168203E-008 1.00000000E+000 /HJK
         2100  2.970896703558711E-008 1.00000000E+000 /HKJ
         3000 -4.641378139474691E-008 1.00000000E+000 /HK
        40200 -7.338177633914552E-010 1.00000000E+000 /hJ
        41100 -3.028189957300515E-008 1.00000000E+000 /hJK
        42000 -1.009992930789639E-007 1.00000000E+000 /hK
!
!------------------------------------------------------------------------
!  using the LIN out of the ERHAM dataset
!
!  21 rejected 513 in fit
!                              RMS ERROR=        0.88297         0.88297
!
 Pyruvic acid: v_24=1 A (01)                            Tue Nov 07 16:22:23 2006
  15  548   15    0    0.0000E+000    4.0000E+000    1.0000E+000 1.0000000000
a 1  1 0,  ,  ,  ,     ,     ,  ,  ,,,,,
        10000  5.531785034913692E+003 1.00000000E+020 /A
        20000  3.569850426340187E+003 1.00000000E+020 /B
        30000  2.207257002706192E+003 1.00000000E+020 /C
          200 -6.183538096790288E-004 1.00000000E+020 /-DJ
         1100  1.181314195369532E-003 1.00000000E+020 /-DJK
         2000 -1.493473566265778E-003 1.00000000E+020 /-DK
        40100 -2.319990093906307E-004 1.00000000E+020 /-dJ
        41000 -1.033504908289847E-004 1.00000000E+020 /-dK
          300 -1.477203586670567E-009 1.00000000E+000 /HJ
         1200 -5.381309751168203E-008 1.00000000E+000 /HJK
         2100  2.970896703558711E-008 1.00000000E+000 /HKJ
         3000 -4.641378139474691E-008 1.00000000E+000 /HK
        40200 -7.338177633914552E-010 1.00000000E+000 /hJ
        41100 -3.028189957300515E-008 1.00000000E+000 /hJK
        42000 -1.009992930789639E-007 1.00000000E+000 /hK
!
!------------------------------------------------------------------------
!------------------------------------------------------------------------