Glycine amide v27=1 Tue Oct 19 22:26:07 2021 48 990 11 0 0.0000E+000 4.5000E+001 1.0000E+000 1.0000000000 a 1 2 0, , , , , , 0 , , 0 ,,,, 10000 9.592953599246652E+003 1.00000000E+001 /A 20000 3.984616282527563E+003 1.00000000E+001 /B 30000 2.930859633822662E+003 1.00000000E+001 /C 200 -7.526177760161757E-004 1.00000000E+000 /-DJ 1100 -4.337675176050071E-003 1.00000000E+000 /-DJK 2000 -2.634444224513905E-003 1.00000000E+000 /-DK 40100 -1.857504195907260E-004 1.00000000E+000 /-dJ 41000 -3.072214340841464E-003 1.00000000E+000 /-dK 300 4.066964054670909E-010 1.00000000E+000 /HJ 1200 -1.036420329679812E-007 1.00000000E+000 /HJK 2100 5.340604968340007E-008 1.00000000E+000 /HKJ 3000 7.648884014881137E-008 1.00000000E+000 /HK 40200 -0.000000000000000E+000 1.00000000E-037 /hJ 41100 -0.000000000000000E+000 1.00000000E-037 /hJK 42000 -5.516293885569660E-008 1.00000000E+000 /hK 10011 9.560822692651964E+003 1.00000000E+001 /A 20011 3.992787659836458E+003 1.00000000E+001 /B 30011 2.939305673102014E+003 1.00000000E+001 /C 211 -8.138887913137326E-004 1.00000000E+000 /-DJ 1111 -3.306819261465626E-003 1.00000000E+000 /-DJK 2011 -4.561767903953197E-003 1.00000000E+000 /-DK 40111 -1.773096470267781E-004 1.00000000E+000 /-dJ 41011 -1.200018219775565E-003 1.00000000E+000 /-dK 311 2.440798979867724E-010 1.00000000E+000 /HJ 1211 8.686793877920596E-008 1.00000000E+000 /HJK 2111 -2.674456050585536E-007 1.00000000E+000 /HKJ 3011 8.166512371881625E-008 1.00000000E+000 /HK 40211 -0.000000000000000E+000 1.00000000E-037 /hJ 41111 -0.000000000000000E+000 1.00000000E-037 /hJK 42011 7.552151111670890E-008 1.00000000E+000 /hK 11 9.821748788270308E+005 5.00000000E+005 /DE 200001 -0.000000000000000E+000 1.00000000E-037 /Ga 210001 1.157274502463733E+001 1.00000000E+002 /Fbc 210101 3.553181463615514E-004 1.00000000E+000 /FbcJ 211001 -0.000000000000000E+000 1.00000000E-037 /FbcK 210201 0.000000000000000E+000 1.00000000E-037 /FbcJJ 211101 -0.000000000000000E+000 1.00000000E-037 /FbcJK 212001 -0.000000000000000E+000 1.00000000E-037 /FbcKK 400001 0.000000000000000E+000 1.00000000E-037 /Gb 410001 3.542349326812887E+001 1.00000000E+002 /Fca 410101 -1.308892767091384E-003 1.00000000E+000 /FcaJ 411001 4.459786698085238E-003 1.00000000E+000 /FcaK 410201 -4.161020476040045E-008 1.00000000E+000 /FcaJJ 411101 2.102097627420674E-007 1.00000000E+000 /FcaJK 412001 0.000000000000000E+000 1.00000000E-037 /FcaKK 420001 0.000000000000000E+000 1.00000000E-037 /c3 421001 -0.000000000000000E+000 1.00000000E-037 /c3K 610001 0.000000000000000E+000 1.00000000E-037 /Fab ! !------------------------------------------------------------------------------ ! ! MICROWAVE RMS = 0.044322 MHz, IR RMS = 0.00000 ! END OF ITERATION 1 OLD, NEW RMS ERROR= 0.88626 0.88626 ! Glycine amide v27=1 Tue Oct 19 22:24:23 2021 48 990 11 0 0.0000E+000 4.5000E+001 1.0000E+000 1.0000000000 a 1 2 0, , , , , , 0 , , 0 ,,,, 10000 9.592953599246652E+003 1.00000000E+001 /A 20000 3.984616282527563E+003 1.00000000E+001 /B 30000 2.930859633822662E+003 1.00000000E+001 /C 200 -7.526177760161757E-004 1.00000000E+000 /-DJ 1100 -4.337675176050071E-003 1.00000000E+000 /-DJK 2000 -2.634444224513905E-003 1.00000000E+000 /-DK 40100 -1.857504195907260E-004 1.00000000E+000 /-dJ 41000 -3.072214340841464E-003 1.00000000E+000 /-dK 300 4.066964054670909E-010 1.00000000E+000 /HJ 1200 -1.036420329679812E-007 1.00000000E+000 /HJK 2100 5.340604968340007E-008 1.00000000E+000 /HKJ 3000 7.648884014881137E-008 1.00000000E+000 /HK 40200 -0.000000000000000E+000 1.00000000E-037 /hJ 41100 -0.000000000000000E+000 1.00000000E-037 /hJK 42000 -5.516293885569660E-008 1.00000000E+000 /hK 10011 9.560822692651964E+003 1.00000000E+001 /A 20011 3.992787659836458E+003 1.00000000E+001 /B 30011 2.939305673102014E+003 1.00000000E+001 /C 211 -8.138887913137325E-004 1.00000000E+000 /-DJ 1111 -3.306819261465626E-003 1.00000000E+000 /-DJK 2011 -4.561767903953197E-003 1.00000000E+000 /-DK 40111 -1.773096470267781E-004 1.00000000E+000 /-dJ 41011 -1.200018219775565E-003 1.00000000E+000 /-dK 311 2.440798979867724E-010 1.00000000E+000 /HJ 1211 8.686793877920596E-008 1.00000000E+000 /HJK 2111 -2.674456050585536E-007 1.00000000E+000 /HKJ 3011 8.166512371881625E-008 1.00000000E+000 /HK 40211 -0.000000000000000E+000 1.00000000E-037 /hJ 41111 -0.000000000000000E+000 1.00000000E-037 /hJK 42011 7.552151111670890E-008 1.00000000E+000 /hK 11 9.821748788270308E+005 5.00000000E+005 /DE 200001 -0.000000000000000E+000 1.00000000E-037 /Ga 210001 1.157274502463733E+001 1.00000000E+002 /Fbc 210101 3.553181463615513E-004 1.00000000E+000 /FbcJ 211001 -0.000000000000000E+000 1.00000000E-037 /FbcK 210201 0.000000000000000E+000 1.00000000E-037 /FbcJJ 211101 -0.000000000000000E+000 1.00000000E-037 /FbcJK 212001 -0.000000000000000E+000 1.00000000E-037 /FbcKK 400001 0.000000000000000E+000 1.00000000E-037 /Gb 410001 3.542349326812887E+001 1.00000000E+002 /Fca 410101 -1.308892767091384E-003 1.00000000E+000 /FcaJ 411001 4.459786698085238E-003 1.00000000E+000 /FcaK 410201 -4.161020476040045E-008 1.00000000E+000 /FcaJJ 411101 2.102097627420674E-007 1.00000000E+000 /FcaJK 412001 0.000000000000000E+000 1.00000000E-037 /FcaKK 420001 0.000000000000000E+000 1.00000000E-037 /c3 421001 -0.000000000000000E+000 1.00000000E-037 /c3K 610001 0.000000000000000E+000 1.00000000E-037 /Fab ! !------------------------------------------------------------------------------