gly-1w-18O Fri Feb 17 09:19:48 2023 8 12 10 0 0.0000E+000 1.0000E+005 1.0000E+000 1.0000000000 a 1 ,1 , , , , , , , , , 0 ,,,,, 10000 5.610984987316996E+003 1.00000000E+000 /A 20000 3.266821899037356E+003 1.00000000E+000 /B 30000 2.191170151052053E+003 1.00000000E+000 /C 200 -6.460000000000007E-003 1.00000000E-037 /-DJ 1100 1.437000000000000E-002 1.00000000E-037 /-DJK 2000 -2.162500000000000E-002 1.00000000E-037 /-DK 40100 -1.946000000000000E-003 1.00000000E-037 /-dJ 41000 -5.580000000000003E-003 1.00000000E-037 /-dK ! !---------------------------------------------------------------------- ! assumed quartics are average of 0+ and 0- of parent ! ! RMS ERROR= 0.62095 0.62095 ! gly-1w-18O Fri Feb 17 09:19:48 2023 8 12 10 0 0.0000E+000 1.0000E+005 1.0000E+000 1.0000000000 a 1 ,1 , , , , , , , , , 0 ,,,,, 10000 5.610984987316996E+003 1.00000000E+000 /A 20000 3.266821899037356E+003 1.00000000E+000 /B 30000 2.191170151052053E+003 1.00000000E+000 /C 200 -6.460000000000007E-003 1.00000000E-037 /-DJ 1100 1.437000000000000E-002 1.00000000E-037 /-DJK 2000 -2.162500000000000E-002 1.00000000E-037 /-DK 40100 -1.946000000000000E-003 1.00000000E-037 /-dJ 41000 -5.580000000000003E-003 1.00000000E-037 /-dK ! !----------------------------------------------------------------------