2-aminopyridine...water                                 Fri Sep 17 17:14:51 2021
  14  113    5    0    0.0000E+000    7.0000E+000    1.0000E+000 1.0000000000
a 33 1 0   , , , -3 , 1.0, 1.0,  ,  , 1 ,,,,,,,,,,
        10000  3.722820047833581E+003 1.00000000E+000 / A
        20000  1.384235440143985E+003 1.00000000E+000 / B
        30000  1.011158355430656E+003 1.00000000E+000 / C
          200 -2.058287641235052E-004 1.00000000E+000 /-DJ
         1100 -4.189801390834851E-004 1.00000000E+000 /-DJK
         2000 -2.205290527966722E-003 1.00000000E+000 /-DK
        40100 -5.881490083182979E-005 1.00000000E+000 /-delJ
        41000 -6.118947386501125E-004 1.00000000E+000 /-delK
    110010000  3.009116086827313E+000 1.00000000E+000 /1:X.aa*3/2
    110040000  1.555564464385254E+000 1.00000000E+000 /1:X(b-c)/4
    110610000  0.000000000000000E+000 1.00000000E-037 /1:Xab
    220010000 -4.875612467135739E+000 1.00000000E+000 /2:X.aa*3/2
    220040000 -1.283835054570015E-001 1.00000000E+000 /2:X(b-c)/4
    220610000  1.432593915429908E+000 1.00000000E+000 /2:Xab
!
!-----------------------------------------------------------------------
!  Final:
!
!  MICROWAVE RMS =        0.001960 MHz, IR RMS =        0.00000
!  END OF ITERATION  1 OLD, NEW RMS ERROR=        0.97796         0.97796
!
2-aminopyridine...water                                 Fri Sep 17 17:14:51 2021
  14  113    5    0    0.0000E+000    7.0000E+000    1.0000E+000 1.0000000000
a 33 1 0   , , , -3 , 1.0, 1.0,  ,  , 1 ,,,,,,,,,,
        10000  3.722820047833581E+003 1.00000000E+000 / A
        20000  1.384235440143985E+003 1.00000000E+000 / B
        30000  1.011158355430656E+003 1.00000000E+000 / C
          200 -2.058287641235052E-004 1.00000000E+000 /-DJ
         1100 -4.189801390834851E-004 1.00000000E+000 /-DJK
         2000 -2.205290527966722E-003 1.00000000E+000 /-DK
        40100 -5.881490083182979E-005 1.00000000E+000 /-delJ
        41000 -6.118947386501125E-004 1.00000000E+000 /-delK
    110010000  3.009116086827313E+000 1.00000000E+000 /1:X.aa*3/2
    110040000  1.555564464385254E+000 1.00000000E+000 /1:X(b-c)/4
    110610000  0.000000000000000E+000 1.00000000E-037 /1:Xab
    220010000 -4.875612467135739E+000 1.00000000E+000 /2:X.aa*3/2
    220040000 -1.283835054570015E-001 1.00000000E+000 /2:X(b-c)/4
    220610000  1.432593915429908E+000 1.00000000E+000 /2:Xab
!
!-----------------------------------------------------------------------