2-aminopyridine...water D-6                            Wed Oct 13 15:01:30 2021
  14   49    3    0    0.0000E+000    5.0000E+000    1.0000E+000 1.0000000000
a 33 1 0   , , , -2 , 1.0, 1.0, , , 1,,,,,,,,,,
        10000  3.558621034675930E+003 1.00000000E+000 / A
        20000  1.383473614641672E+003 1.00000000E+000 / B
        30000  9.982631773934962E+002 1.00000000E+000 / C
          200 -2.278811461374734E-004 1.00000000E+000 /-DJ
         1100 -4.190000000000003E-004 1.00000000E-037 /-DJK
         2000 -2.205000000000000E-003 1.00000000E-037 /-DK
        40100 -5.881000000000003E-005 1.00000000E-037 /-delJ
        41000 -6.119000000000004E-004 1.00000000E-037 /-delK
    110010000  2.974902108310854E+000 1.00000000E+000 /1:X.aa*3/2
    110040000  1.551278232007060E+000 1.00000000E+000 /1:X(b-c)/4
    110610000 -0.000000000000000E+000 1.00000000E-037 /1:Xab
    220010000 -4.815474669755563E+000 1.00000000E+000 /2:X.aa*3/2
    220040000 -1.256221232003895E-001 1.00000000E+000 /2:X(b-c)/4
    220610000  1.430000000000000E+000 1.00000000E-037 /2:Xab
!
!------------------------------------------------------------------------------
!  Final:
!
!  MICROWAVE RMS =        0.003862 MHz, IR RMS =        0.00000
!  END OF ITERATION  1 OLD, NEW RMS ERROR=        1.93095         1.93095
!
 2-aminopyridine...water D-6                            Wed Oct 13 15:01:30 2021
  14   49    3    0    0.0000E+000    5.0000E+000    1.0000E+000 1.0000000000
a 33 1 0   , , , -2 , 1.0, 1.0, , , 1,,,,,,,,,,
        10000  3.558621034675930E+003 1.00000000E+000 / A
        20000  1.383473614641672E+003 1.00000000E+000 / B
        30000  9.982631773934962E+002 1.00000000E+000 / C
          200 -2.278811461374734E-004 1.00000000E+000 /-DJ
         1100 -4.190000000000003E-004 1.00000000E-037 /-DJK
         2000 -2.205000000000000E-003 1.00000000E-037 /-DK
        40100 -5.881000000000003E-005 1.00000000E-037 /-delJ
        41000 -6.119000000000004E-004 1.00000000E-037 /-delK
    110010000  2.974902108310854E+000 1.00000000E+000 /1:X.aa*3/2
    110040000  1.551278232007060E+000 1.00000000E+000 /1:X(b-c)/4
    110610000 -0.000000000000000E+000 1.00000000E-037 /1:Xab
    220010000 -4.815474669755563E+000 1.00000000E+000 /2:X.aa*3/2
    220040000 -1.256221232003895E-001 1.00000000E+000 /2:X(b-c)/4
    220610000  1.430000000000000E+000 1.00000000E-037 /2:Xab
!
!------------------------------------------------------------------------------