Glycine amide, three doublets Tue Oct 19 23:08:57 2021 149 3176 11 0 0.0000E+000 1.0000E+001 1.0000E+000 1.0000000000 a 1 6 0, , , , , , 0 , , 0 ,,,, 10000 9.631655617442528E+003 1.00000000E+000 /A 20000 3.986804155488687E+003 1.00000000E+000 /B 30000 2.925577540882513E+003 1.00000000E+000 /C 200 -8.206163134478361E-004 1.00000000E+000 /-DJ 1100 -3.131823409036662E-003 1.00000000E+000 /-DJK 2000 -4.593130482268924E-003 1.00000000E+000 /-DK 40100 -1.826400408492815E-004 1.00000000E+000 /-dJ 41000 -2.654187433853238E-003 1.00000000E+000 /-dK 300 1.854632968846292E-010 1.00000000E+000 /HJ 1200 -5.629920022085016E-008 1.00000000E+000 /HJK 2100 -2.256377846798054E-008 1.00000000E+000 /HKJ 3000 5.905279625703352E-008 1.00000000E+000 /HK 40200 -3.081555357367194E-010 1.00000000E+000 /hJ 41100 0.000000000000000E+000 1.00000000E-037 /hJK 42000 -0.000000000000000E+000 1.00000000E-037 /hK 10011 9.609185025350549E+003 1.00000000E+000 /A 20011 3.992036636445751E+003 1.00000000E+000 /B 30011 2.931887194862271E+003 1.00000000E+000 /C 211 -7.989920033637201E-004 1.00000000E+000 /-DJ 1111 -3.426335560207230E-003 1.00000000E+000 /-DJK 2011 -4.056265493912813E-003 1.00000000E+000 /-DK 40111 -1.860582167015296E-004 1.00000000E+000 /-dJ 41011 -1.995619415908991E-003 1.00000000E+000 /-dK 311 5.053134679004480E-010 1.00000000E+000 /HJ 1211 1.800283050690690E-008 1.00000000E+000 /HJK 2111 -4.092149201505122E-008 1.00000000E+000 /HKJ 3011 -0.000000000000000E+000 1.00000000E-037 /HK 40211 0.000000000000000E+000 1.00000000E-037 /hJ 41111 0.000000000000000E+000 1.00000000E-037 /hJK 42011 -1.394735012700051E-007 1.00000000E+000 /hK 11 2.873556636714428E+005 1.00000000E+005 /DE 200001 0.000000000000000E+000 1.00000000E-037 /Ga 210001 4.236930867755316E+000 1.00000000E+002 /Fbc 210101 3.060192806586741E-004 1.00000000E+000 /FbcJ 211001 4.568426502291410E-004 1.00000000E+000 /FbcK 210201 1.486788961804241E-008 1.00000000E+000 /FbcJJ 211101 1.351802747210087E-007 1.00000000E+000 /FbcJK 212001 -3.390083261490027E-007 1.00000000E+000 /FbcKK 400001 0.000000000000000E+000 1.00000000E-037 /Gb 410001 5.287384233146069E+001 1.00000000E+003 /Fca 410101 -4.017436762737205E-004 1.00000000E+000 /FcaJ 411001 2.889781312136152E-003 1.00000000E+000 /FcaK 410201 -6.680566660405574E-009 1.00000000E+000 /FcaJJ 411101 -4.501630815733848E-008 1.00000000E+000 /FcaJK 412001 2.774491101169335E-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 10022 9.592953597769756E+003 1.00000000E+001 /A 20022 3.984616282504816E+003 1.00000000E+001 /B 30022 2.930859633880332E+003 1.00000000E+001 /C 222 -7.526178091701366E-004 1.00000000E+000 /-DJ 1122 -4.337668621540289E-003 1.00000000E+000 /-DJK 2022 -2.634443651587863E-003 1.00000000E+000 /-DK 40122 -1.857504171918793E-004 1.00000000E+000 /-dJ 41022 -3.072223646536597E-003 1.00000000E+000 /-dK 322 4.066951816999309E-010 1.00000000E+000 /HJ 1222 -1.036372637971935E-007 1.00000000E+000 /HJK 2122 5.339226248800683E-008 1.00000000E+000 /HKJ 3022 7.648884014881137E-008 1.00000000E-037 /HK 40222 -0.000000000000000E+000 1.00000000E-037 /hJ 41122 0.000000000000000E+000 1.00000000E-037 /hJK 42022 -5.516293885569660E-008 1.00000000E-037 /hK 10033 9.560822693812917E+003 1.00000000E+001 /A 20033 3.992787659825310E+003 1.00000000E+001 /B 30033 2.939305673070208E+003 1.00000000E+001 /C 233 -8.138888070146577E-004 1.00000000E+000 /-DJ 1133 -3.306825820615808E-003 1.00000000E+000 /-DJK 2033 -4.561768200033517E-003 1.00000000E+000 /-DK 40133 -1.773096264325701E-004 1.00000000E+000 /-dJ 41033 -1.200010167649712E-003 1.00000000E+000 /-dK 333 2.440798979867724E-010 1.00000000E-037 /HJ 1233 8.686299032376931E-008 1.00000000E+000 /HJK 2133 -2.674307242162859E-007 1.00000000E+000 /HKJ 3033 8.166512371881625E-008 1.00000000E-037 /HK 40233 0.000000000000000E+000 1.00000000E-037 /hJ 41133 -0.000000000000000E+000 1.00000000E-037 /hJK 42033 7.552151111670890E-008 1.00000000E-037 /hK 22 2.953000000000000E+006 5.00000000E-037 /98.5cm-1 -33 2.953000000000000E+006 1.00000000E-037 /DE 33 9.821748787568420E+005 5.00000000E+005 /DE 200023 -0.000000000000000E+000 1.00000000E-037 /Ga 210023 1.157277366048626E+001 1.00000000E+002 /Fbc 210123 3.553058269056337E-004 1.00000000E+000 /FbcJ 211023 0.000000000000000E+000 1.00000000E-037 /FbcK 210223 0.000000000000000E+000 1.00000000E-037 /FbcJJ 211123 0.000000000000000E+000 1.00000000E-037 /FbcJK 212023 0.000000000000000E+000 1.00000000E-037 /FbcKK 400023 0.000000000000000E+000 1.00000000E-037 /Gb 410023 3.542352294344735E+001 1.00000000E+002 /Fca 410123 -1.308853314617953E-003 1.00000000E+000 /FcaJ 411023 4.459729747758831E-003 1.00000000E+000 /FcaK 410223 -4.160757519144478E-008 1.00000000E+000 /FcaJJ 411123 2.101951412281692E-007 1.00000000E+000 /FcaJK 412023 0.000000000000000E+000 1.00000000E-037 /FcaKK 420023 -0.000000000000000E+000 1.00000000E-037 /c3 421023 -0.000000000000000E+000 1.00000000E-037 /c3K 610023 0.000000000000000E+000 1.00000000E-037 /Fab 10044 9.561184606817409E+003 1.00000000E+002 /A 20044 3.991125760180345E+003 1.00000000E+000 /B 30044 2.937870999086795E+003 1.00000000E+000 /C 244 -8.040374861603359E-004 1.00000000E+000 /-DJ 1144 -4.174742974297476E-003 1.00000000E+000 /-DJK 2044 -4.889786403435862E-003 1.00000000E+000 /-DK 40144 -1.634149610132323E-004 1.00000000E+000 /-dJ 41044 -2.815225172925903E-003 1.00000000E+000 /-dK 344 -0.000000000000000E+000 1.00000000E-037 /HJ 1244 2.250348734179351E-008 1.00000000E+000 /HJK 2144 -4.170445296611547E-007 1.00000000E+000 /HKJ 3044 3.394079585574167E-007 1.00000000E+000 /HK 40244 -0.000000000000000E+000 1.00000000E-037 /hJ 41144 -0.000000000000000E+000 1.00000000E-037 /hJK 42044 1.812357859328024E-007 1.00000000E+000 /hK 10055 9.616069539719665E+003 1.00000000E+002 /A 20055 3.978651756514203E+003 1.00000000E+000 /B 30055 2.921795547261687E+003 1.00000000E+000 /C 255 -7.493690816833048E-004 1.00000000E+000 /-DJ 1155 -6.285743033218267E-003 1.00000000E+000 /-DJK 2055 -2.219587902890372E-004 1.00000000E+000 /-DK 40155 -1.905335666305232E-004 1.00000000E+000 /-dJ 41055 -2.459031624211058E-004 1.00000000E+000 /-dK 355 1.143173104550588E-009 1.00000000E+000 /HJ 1255 -3.422726425824794E-008 1.00000000E+000 /HJK 2155 -8.296161128143299E-007 1.00000000E+000 /HKJ 3055 6.018864703418003E-007 1.00000000E+000 /HK 40255 0.000000000000000E+000 1.00000000E-037 /hJ 41155 1.959692389053702E-008 1.00000000E+000 /hJK 42055 -3.176487729981814E-007 1.00000000E+000 /hK 44 6.032000000000000E+006 5.00000000E-037 /201.2cm-1 -55 6.032000000000000E+006 1.00000000E-037 /DE 55 3.049434615590976E+005 5.00000000E+005 /DE 200045 0.000000000000000E+000 1.00000000E-037 /Ga 210045 1.154932040052948E+000 1.00000000E+001 /Fbc 210145 -7.721548811656309E-005 1.00000000E+000 /FbcJ 211045 2.692002113737567E-003 1.00000000E+000 /FbcK 210245 -0.000000000000000E+000 1.00000000E-037 /FbcJJ 211145 -0.000000000000000E+000 1.00000000E-037 /FbcJK 400045 0.000000000000000E+000 1.00000000E-037 /Gb 410045 3.418516518172413E+000 1.00000000E+001 /Fca 410145 -2.357857443262460E-004 1.00000000E+000 /FcaJ 411045 2.182623978067102E-003 1.00000000E+000 /FcaK 410245 -1.142662398644480E-008 1.00000000E+000 /FcaJJ 411145 1.118732756338558E-007 1.00000000E+000 /FcaJK 412045 -2.221557036669194E-007 1.00000000E+000 /FcaKK 420045 -0.000000000000000E+000 1.00000000E-037 /c3 420145 -0.000000000000000E+000 1.00000000E-037 /c3J 421045 -0.000000000000000E+000 1.00000000E-037 /c3K 610045 0.000000000000000E+000 1.00000000E-037 /Fab ! !------------------------------------------------------------------------------ ! Combining the three doublets ! ! MICROWAVE RMS = 0.045674 MHz, IR RMS = 0.00000 ! END OF ITERATION 1 OLD, NEW RMS ERROR= 0.91804 0.91804 ! ! distinct frequency lines in fit: 2824 ! distinct parameters of fit: 103 ! lines rejected from fit: 5 (ERRTST = 1.00E+01) ! ! MICROWAVE lines fitted lines lines RMS RMS ERROR ! total dv=0 dv.ne.0 UNFITTD e>900 ! v"= 0 635 617 18 0 0 0.040515 0.83529 ! v"= 1 602 587 15 0 0 0.046894 0.93550 ! v"= 2 438 438 0 0 0 0.045662 0.91288 ! v"= 3 435 435 0 0 0 0.042888 0.85776 ! v"= 4 381 381 0 2 0 0.049112 0.98224 ! v"= 5 333 333 0 3 0 0.051578 1.03157 ! ----------------------------------------------------------------------------- ! total: 2824 2791 33 5 0 0.045648 0.91743 ! ! ! J range Ka range freq. range ! ! v"= 0 0 55 0 36 6706 328902 ! v"= 1 11 55 0 37 90620 328918 ! v"= 2 11 55 0 31 112147 328889 ! v"= 3 11 55 0 31 112210 328346 ! v"= 4 11 55 0 26 112148 328787 ! v"= 5 12 55 0 26 112238 326637 ! ! Glycine amide, three doublets Mon Oct 18 09:09:26 2021 149 3176 11 0 0.0000E+000 1.0000E+001 1.0000E+000 1.0000000000 a 1 6 0, , , , , , 0 , , 0 ,,,, 10000 9.631655617442528E+003 1.00000000E+000 /A 20000 3.986804155488687E+003 1.00000000E+000 /B 30000 2.925577540882513E+003 1.00000000E+000 /C 200 -8.206163134478356E-004 1.00000000E+000 /-DJ 1100 -3.131823409036662E-003 1.00000000E+000 /-DJK 2000 -4.593130482268924E-003 1.00000000E+000 /-DK 40100 -1.826400408492815E-004 1.00000000E+000 /-dJ 41000 -2.654187433853238E-003 1.00000000E+000 /-dK 300 1.854632968846292E-010 1.00000000E+000 /HJ 1200 -5.629920022085016E-008 1.00000000E+000 /HJK 2100 -2.256377846798054E-008 1.00000000E+000 /HKJ 3000 5.905279625703352E-008 1.00000000E+000 /HK 40200 -3.081555357367194E-010 1.00000000E+000 /hJ 41100 0.000000000000000E+000 1.00000000E-037 /hJK 42000 -0.000000000000000E+000 1.00000000E-037 /hK 10011 9.609185025350549E+003 1.00000000E+000 /A 20011 3.992036636445751E+003 1.00000000E+000 /B 30011 2.931887194862271E+003 1.00000000E+000 /C 211 -7.989920033637198E-004 1.00000000E+000 /-DJ 1111 -3.426335560207230E-003 1.00000000E+000 /-DJK 2011 -4.056265493912813E-003 1.00000000E+000 /-DK 40111 -1.860582167015296E-004 1.00000000E+000 /-dJ 41011 -1.995619415908991E-003 1.00000000E+000 /-dK 311 5.053134679004480E-010 1.00000000E+000 /HJ 1211 1.800283050690690E-008 1.00000000E+000 /HJK 2111 -4.092149201505122E-008 1.00000000E+000 /HKJ 3011 -0.000000000000000E+000 1.00000000E-037 /HK 40211 0.000000000000000E+000 1.00000000E-037 /hJ 41111 0.000000000000000E+000 1.00000000E-037 /hJK 42011 -1.394735012700051E-007 1.00000000E+000 /hK 11 2.873556636714428E+005 1.00000000E+005 /DE 200001 0.000000000000000E+000 1.00000000E-037 /Ga 210001 4.236930867755316E+000 1.00000000E+002 /Fbc 210101 3.060192806586741E-004 1.00000000E+000 /FbcJ 211001 4.568426502291407E-004 1.00000000E+000 /FbcK 210201 1.486788961804241E-008 1.00000000E+000 /FbcJJ 211101 1.351802747210087E-007 1.00000000E+000 /FbcJK 212001 -3.390083261490027E-007 1.00000000E+000 /FbcKK 400001 0.000000000000000E+000 1.00000000E-037 /Gb 410001 5.287384233146069E+001 1.00000000E+003 /Fca 410101 -4.017436762737205E-004 1.00000000E+000 /FcaJ 411001 2.889781312136152E-003 1.00000000E+000 /FcaK 410201 -6.680566660405574E-009 1.00000000E+000 /FcaJJ 411101 -4.501630815733848E-008 1.00000000E+000 /FcaJK 412001 2.774491101169335E-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 10022 9.592953597769756E+003 1.00000000E+001 /A 20022 3.984616282504816E+003 1.00000000E+001 /B 30022 2.930859633880332E+003 1.00000000E+001 /C 222 -7.526178091701363E-004 1.00000000E+000 /-DJ 1122 -4.337668621540289E-003 1.00000000E+000 /-DJK 2022 -2.634443651587863E-003 1.00000000E+000 /-DK 40122 -1.857504171918793E-004 1.00000000E+000 /-dJ 41022 -3.072223646536597E-003 1.00000000E+000 /-dK 322 4.066951816999309E-010 1.00000000E+000 /HJ 1222 -1.036372637971935E-007 1.00000000E+000 /HJK 2122 5.339226248800683E-008 1.00000000E+000 /HKJ 3022 7.648884014881137E-008 1.00000000E-037 /HK 40222 -0.000000000000000E+000 1.00000000E-037 /hJ 41122 0.000000000000000E+000 1.00000000E-037 /hJK 42022 -5.516293885569660E-008 1.00000000E-037 /hK 10033 9.560822693812917E+003 1.00000000E+001 /A 20033 3.992787659825310E+003 1.00000000E+001 /B 30033 2.939305673070208E+003 1.00000000E+001 /C 233 -8.138888070146574E-004 1.00000000E+000 /-DJ 1133 -3.306825820615808E-003 1.00000000E+000 /-DJK 2033 -4.561768200033517E-003 1.00000000E+000 /-DK 40133 -1.773096264325701E-004 1.00000000E+000 /-dJ 41033 -1.200010167649712E-003 1.00000000E+000 /-dK 333 2.440798979867724E-010 1.00000000E-037 /HJ 1233 8.686299032376927E-008 1.00000000E+000 /HJK 2133 -2.674307242162859E-007 1.00000000E+000 /HKJ 3033 8.166512371881625E-008 1.00000000E-037 /HK 40233 0.000000000000000E+000 1.00000000E-037 /hJ 41133 -0.000000000000000E+000 1.00000000E-037 /hJK 42033 7.552151111670890E-008 1.00000000E-037 /hK 22 2.953000000000000E+006 5.00000000E-037 /98.5cm-1 -33 2.953000000000000E+006 1.00000000E-037 /DE 33 9.821748787568419E+005 5.00000000E+005 /DE 200023 -0.000000000000000E+000 1.00000000E-037 /Ga 210023 1.157277366048626E+001 1.00000000E+002 /Fbc 210123 3.553058269056337E-004 1.00000000E+000 /FbcJ 211023 0.000000000000000E+000 1.00000000E-037 /FbcK 210223 0.000000000000000E+000 1.00000000E-037 /FbcJJ 211123 0.000000000000000E+000 1.00000000E-037 /FbcJK 212023 0.000000000000000E+000 1.00000000E-037 /FbcKK 400023 0.000000000000000E+000 1.00000000E-037 /Gb 410023 3.542352294344735E+001 1.00000000E+002 /Fca 410123 -1.308853314617953E-003 1.00000000E+000 /FcaJ 411023 4.459729747758829E-003 1.00000000E+000 /FcaK 410223 -4.160757519144478E-008 1.00000000E+000 /FcaJJ 411123 2.101951412281692E-007 1.00000000E+000 /FcaJK 412023 0.000000000000000E+000 1.00000000E-037 /FcaKK 420023 -0.000000000000000E+000 1.00000000E-037 /c3 421023 -0.000000000000000E+000 1.00000000E-037 /c3K 610023 0.000000000000000E+000 1.00000000E-037 /Fab 10044 9.561184606817409E+003 1.00000000E+002 /A 20044 3.991125760180345E+003 1.00000000E+000 /B 30044 2.937870999086795E+003 1.00000000E+000 /C 244 -8.040374861603356E-004 1.00000000E+000 /-DJ 1144 -4.174742974297476E-003 1.00000000E+000 /-DJK 2044 -4.889786403435862E-003 1.00000000E+000 /-DK 40144 -1.634149610132323E-004 1.00000000E+000 /-dJ 41044 -2.815225172925903E-003 1.00000000E+000 /-dK 344 -0.000000000000000E+000 1.00000000E-037 /HJ 1244 2.250348734179351E-008 1.00000000E+000 /HJK 2144 -4.170445296611547E-007 1.00000000E+000 /HKJ 3044 3.394079585574167E-007 1.00000000E+000 /HK 40244 -0.000000000000000E+000 1.00000000E-037 /hJ 41144 -0.000000000000000E+000 1.00000000E-037 /hJK 42044 1.812357859328024E-007 1.00000000E+000 /hK 10055 9.616069539719665E+003 1.00000000E+002 /A 20055 3.978651756514203E+003 1.00000000E+000 /B 30055 2.921795547261687E+003 1.00000000E+000 /C 255 -7.493690816833047E-004 1.00000000E+000 /-DJ 1155 -6.285743033218267E-003 1.00000000E+000 /-DJK 2055 -2.219587902890372E-004 1.00000000E+000 /-DK 40155 -1.905335666305232E-004 1.00000000E+000 /-dJ 41055 -2.459031624211058E-004 1.00000000E+000 /-dK 355 1.143173104550588E-009 1.00000000E+000 /HJ 1255 -3.422726425824794E-008 1.00000000E+000 /HJK 2155 -8.296161128143296E-007 1.00000000E+000 /HKJ 3055 6.018864703418000E-007 1.00000000E+000 /HK 40255 0.000000000000000E+000 1.00000000E-037 /hJ 41155 1.959692389053702E-008 1.00000000E+000 /hJK 42055 -3.176487729981814E-007 1.00000000E+000 /hK 44 6.032000000000000E+006 5.00000000E-037 /201.2cm-1 -55 6.032000000000000E+006 1.00000000E-037 /DE 55 3.049434615590976E+005 5.00000000E+005 /DE 200045 0.000000000000000E+000 1.00000000E-037 /Ga 210045 1.154932040052948E+000 1.00000000E+001 /Fbc 210145 -7.721548811656309E-005 1.00000000E+000 /FbcJ 211045 2.692002113737567E-003 1.00000000E+000 /FbcK 210245 -0.000000000000000E+000 1.00000000E-037 /FbcJJ 211145 -0.000000000000000E+000 1.00000000E-037 /FbcJK 400045 0.000000000000000E+000 1.00000000E-037 /Gb 410045 3.418516518172413E+000 1.00000000E+001 /Fca 410145 -2.357857443262460E-004 1.00000000E+000 /FcaJ 411045 2.182623978067102E-003 1.00000000E+000 /FcaK 410245 -1.142662398644480E-008 1.00000000E+000 /FcaJJ 411145 1.118732756338558E-007 1.00000000E+000 /FcaJK 412045 -2.221557036669194E-007 1.00000000E+000 /FcaKK 420045 -0.000000000000000E+000 1.00000000E-037 /c3 420145 -0.000000000000000E+000 1.00000000E-037 /c3J 421045 -0.000000000000000E+000 1.00000000E-037 /c3K 610045 0.000000000000000E+000 1.00000000E-037 /Fab ! !------------------------------------------------------------------------------