gly-3w-18O3                                             Thu Feb 16 17:47:59 2023
   5   21   10    0    0.0000E+000    1.0000E+005    1.0000E+000 1.0000000000
a   1 ,1 ,  ,  ,  ,  ,  ,  ,   ,   , 0 ,,,,,
        10000  1.886659221410546E+003 1.00000000E+000 /A
        20000  1.326549124183281E+003 1.00000000E+000 /B
        30000  1.246877667350805E+003 1.00000000E+000 /C
          200 -7.437031180657802E-004 1.00000000E+000 /-DJ
         1100 -2.094362111882463E-003 1.00000000E+000 /-DJK
!
!----------------------------------------------------------------------
!
!                              RMS ERROR=        0.70305         0.70305
!
gly-3w-18O3                                             Thu Feb 16 17:47:59 2023
   5   21   10    0    0.0000E+000    1.0000E+005    1.0000E+000 1.0000000000
a   1 ,1 ,  ,  ,  ,  ,  ,  ,   ,   , 0 ,,,,,
        10000  1.886659221410546E+003 1.00000000E+000 /A
        20000  1.326549124183281E+003 1.00000000E+000 /B
        30000  1.246877667350805E+003 1.00000000E+000 /C
          200 -7.437031180657802E-004 1.00000000E+000 /-DJ
         1100 -2.094362111882463E-003 1.00000000E+000 /-DJK
!
!----------------------------------------------------------------------