2-aminopyridine...water D-5                            Wed Oct 13 15:27:10 2021
  14   37    5    0    0.0000E+000    6.4000E+000    1.0000E+000 1.0000000000
a 33 1 0   , , , -2 , 1.0, 1.0,  ,  , 1 ,,,,,,,,,,
        10000  3.640337339649380E+003 1.00000000E+000 / A
        20000  1.354604988391074E+003 1.00000000E+000 / B
        30000  9.892882347321352E+002 1.00000000E+000 / C
          200 -2.532653084660092E-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  3.113257536736793E+000 1.00000000E+000 /1:X.aa*3/2
    110040000  1.541499369731915E+000 1.00000000E+000 /1:X(b-c)/4
    110610000  0.000000000000000E+000 1.00000000E-037 /1:Xab
    220010000 -4.821277058594951E+000 1.00000000E+000 /2:X.aa*3/2
    220040000 -1.455229439330435E-001 1.00000000E+000 /2:X(b-c)/4
    220610000  1.430000000000000E+000 1.00000000E-037 /2:Xab
!
!------------------------------------------------------------------------------
!  Final:
!
! MICROWAVE RMS =        0.005383 MHz, IR RMS =        0.00000
! END OF ITERATION  1 OLD, NEW RMS ERROR=        2.69157         2.69157
!
 2-aminopyridine...water D-5                            Wed Oct 13 15:27:10 2021
  14   37    5    0    0.0000E+000    6.4000E+000    1.0000E+000 1.0000000000
a 33 1 0   , , , -2 , 1.0, 1.0,  ,  , 1 ,,,,,,,,,,
        10000  3.640337339649380E+003 1.00000000E+000 / A
        20000  1.354604988391074E+003 1.00000000E+000 / B
        30000  9.892882347321352E+002 1.00000000E+000 / C
          200 -2.532653084660092E-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  3.113257536736793E+000 1.00000000E+000 /1:X.aa*3/2
    110040000  1.541499369731915E+000 1.00000000E+000 /1:X(b-c)/4
    110610000  0.000000000000000E+000 1.00000000E-037 /1:Xab
    220010000 -4.821277058594951E+000 1.00000000E+000 /2:X.aa*3/2
    220040000 -1.455229439330435E-001 1.00000000E+000 /2:X(b-c)/4
    220610000  1.430000000000000E+000 1.00000000E-037 /2:Xab
!
!------------------------------------------------------------------------------