Glycine amide v26=1 Tue Oct 19 22:31:06 2021 48 786 11 0 0.0000E+000 4.5000E+000 1.0000E+000 1.0000000000 a 1 2 0, , , , , , 0 , , 0 ,,,, 10000 9.561184606230958E+003 1.00000000E+002 /A 20000 3.991125760232010E+003 1.00000000E+000 /B 30000 2.937870999085675E+003 1.00000000E+000 /C 200 -8.040375241842539E-004 1.00000000E+000 /-DJ 1100 -4.174743710322003E-003 1.00000000E+000 /-DJK 2000 -4.889780768218810E-003 1.00000000E+000 /-DK 40100 -1.634149662692928E-004 1.00000000E+000 /-dJ 41000 -2.815225783852479E-003 1.00000000E+000 /-dK 300 0.000000000000000E+000 1.00000000E-037 /HJ 1200 2.250406013826702E-008 1.00000000E+000 /HJK 2100 -4.170442257122045E-007 1.00000000E+000 /HKJ 3000 3.393981216564252E-007 1.00000000E+000 /HK 40200 0.000000000000000E+000 1.00000000E-037 /hJ 41100 -0.000000000000000E+000 1.00000000E-037 /hJK 42000 1.812387433027881E-007 1.00000000E+000 /hK 10011 9.616069539734173E+003 1.00000000E+002 /A 20011 3.978651756508501E+003 1.00000000E+000 /B 30011 2.921795547235863E+003 1.00000000E+000 /C 211 -7.493691074000006E-004 1.00000000E+000 /-DJ 1111 -6.285741875544587E-003 1.00000000E+000 /-DJK 2011 -2.219605005841480E-004 1.00000000E+000 /-DK 40111 -1.905335663721634E-004 1.00000000E+000 /-dJ 41011 -2.459031955377702E-004 1.00000000E+000 /-dK 311 1.143196039963153E-009 1.00000000E+000 /HJ 1211 -3.422709751975820E-008 1.00000000E+000 /HJK 2111 -8.296198054389746E-007 1.00000000E+000 /HKJ 3011 6.018916700206877E-007 1.00000000E+000 /HK 40211 0.000000000000000E+000 1.00000000E-037 /hJ 41111 1.959713619342012E-008 1.00000000E+000 /hJK 42011 -3.176462421356216E-007 1.00000000E+000 /hK 11 3.049434615415025E+005 5.00000000E+005 /DE 200001 0.000000000000000E+000 1.00000000E-037 /Ga 210001 1.154932102171970E+000 1.00000000E+001 /Fbc 210101 -7.721560697646358E-005 1.00000000E+000 /FbcJ 211001 2.692003285476474E-003 1.00000000E+000 /FbcK 210201 0.000000000000000E+000 1.00000000E-037 /FbcJJ 211101 -0.000000000000000E+000 1.00000000E-037 /FbcJK 400001 0.000000000000000E+000 1.00000000E-037 /Gb 410001 3.418515929879106E+000 1.00000000E+001 /Fca 410101 -2.357897584164461E-004 1.00000000E+000 /FcaJ 411001 2.182641430814574E-003 1.00000000E+000 /FcaK 410201 -1.142567203027952E-008 1.00000000E+000 /FcaJJ 411101 1.118745758527602E-007 1.00000000E+000 /FcaJK 412001 -2.221707355687254E-007 1.00000000E+000 /FcaKK 420001 -0.000000000000000E+000 1.00000000E-037 /c3 420101 0.000000000000000E+000 1.00000000E-037 /c3J 421001 0.000000000000000E+000 1.00000000E-037 /c3K 610001 0.000000000000000E+000 1.00000000E-037 /Fab ! !------------------------------------------------------------------------------ ! ! 5 lines rejected: all diverging tails, probably outside the model. ! ! MICROWAVE RMS = 0.050308 MHz, IR RMS = 0.00000 ! END OF ITERATION 1 OLD, NEW RMS ERROR= 1.00617 1.00617 ! Glycine amide v26=1 Tue Oct 19 22:31:06 2021 48 786 11 0 0.0000E+000 4.5000E+000 1.0000E+000 1.0000000000 a 1 2 0, , , , , , 0 , , 0 ,,,, 10000 9.561184606230958E+003 1.00000000E+002 /A 20000 3.991125760232010E+003 1.00000000E+000 /B 30000 2.937870999085675E+003 1.00000000E+000 /C 200 -8.040375241842539E-004 1.00000000E+000 /-DJ 1100 -4.174743710322003E-003 1.00000000E+000 /-DJK 2000 -4.889780768218810E-003 1.00000000E+000 /-DK 40100 -1.634149662692928E-004 1.00000000E+000 /-dJ 41000 -2.815225783852479E-003 1.00000000E+000 /-dK 300 0.000000000000000E+000 1.00000000E-037 /HJ 1200 2.250406013826702E-008 1.00000000E+000 /HJK 2100 -4.170442257122045E-007 1.00000000E+000 /HKJ 3000 3.393981216564252E-007 1.00000000E+000 /HK 40200 0.000000000000000E+000 1.00000000E-037 /hJ 41100 -0.000000000000000E+000 1.00000000E-037 /hJK 42000 1.812387433027881E-007 1.00000000E+000 /hK 10011 9.616069539734173E+003 1.00000000E+002 /A 20011 3.978651756508501E+003 1.00000000E+000 /B 30011 2.921795547235863E+003 1.00000000E+000 /C 211 -7.493691074000006E-004 1.00000000E+000 /-DJ 1111 -6.285741875544587E-003 1.00000000E+000 /-DJK 2011 -2.219605005841480E-004 1.00000000E+000 /-DK 40111 -1.905335663721634E-004 1.00000000E+000 /-dJ 41011 -2.459031955377702E-004 1.00000000E+000 /-dK 311 1.143196039963153E-009 1.00000000E+000 /HJ 1211 -3.422709751975820E-008 1.00000000E+000 /HJK 2111 -8.296198054389746E-007 1.00000000E+000 /HKJ 3011 6.018916700206877E-007 1.00000000E+000 /HK 40211 0.000000000000000E+000 1.00000000E-037 /hJ 41111 1.959713619342012E-008 1.00000000E+000 /hJK 42011 -3.176462421356216E-007 1.00000000E+000 /hK 11 3.049434615415025E+005 5.00000000E+005 /DE 200001 0.000000000000000E+000 1.00000000E-037 /Ga 210001 1.154932102171970E+000 1.00000000E+001 /Fbc 210101 -7.721560697646358E-005 1.00000000E+000 /FbcJ 211001 2.692003285476474E-003 1.00000000E+000 /FbcK 210201 0.000000000000000E+000 1.00000000E-037 /FbcJJ 211101 -0.000000000000000E+000 1.00000000E-037 /FbcJK 400001 0.000000000000000E+000 1.00000000E-037 /Gb 410001 3.418515929879106E+000 1.00000000E+001 /Fca 410101 -2.357897584164461E-004 1.00000000E+000 /FcaJ 411001 2.182641430814574E-003 1.00000000E+000 /FcaK 410201 -1.142567203027952E-008 1.00000000E+000 /FcaJJ 411101 1.118745758527602E-007 1.00000000E+000 /FcaJK 412001 -2.221707355687254E-007 1.00000000E+000 /FcaKK 420001 -0.000000000000000E+000 1.00000000E-037 /c3 420101 0.000000000000000E+000 1.00000000E-037 /c3J 421001 0.000000000000000E+000 1.00000000E-037 /c3K 610001 0.000000000000000E+000 1.00000000E-037 /Fab ! !------------------------------------------------------------------------------