gly-3w-18O1                                             Thu Feb 16 17:47:50 2023
   5   23   10    0    0.0000E+000    1.0000E+005    1.0000E+000 1.0000000000
a   1 ,1 ,  ,  ,  ,  ,  ,  ,   ,   , 0 ,,,,,
        10000  1.893844807905817E+003 1.00000000E+000 /A
        20000  1.323054824410876E+003 1.00000000E+000 /B
        30000  1.233473814467716E+003 1.00000000E+000 /C
          200 -7.759629772796743E-004 1.00000000E+000 /-DJ
         1100 -2.433328365982283E-003 1.00000000E+000 /-DJK
!
!----------------------------------------------------------------------
!
!                              RMS ERROR=        0.82939         0.82939
!
gly-3w-18O1                                             Thu Feb 16 17:47:50 2023
   5   23   10    0    0.0000E+000    1.0000E+005    1.0000E+000 1.0000000000
a   1 ,1 ,  ,  ,  ,  ,  ,  ,   ,   , 0 ,,,,,
        10000  1.893844807905817E+003 1.00000000E+000 /A
        20000  1.323054824410876E+003 1.00000000E+000 /B
        30000  1.233473814467716E+003 1.00000000E+000 /C
          200 -7.759629772796743E-004 1.00000000E+000 /-DJ
         1100 -2.433328365982283E-003 1.00000000E+000 /-DJK
!
!----------------------------------------------------------------------