37Cl 3-chlorobenzonitrile F1,F coupling Mon Mar 11 22:48:47 2019 21 230 5 0 0.0000E+000 1.0000E+020 1.0000E+000 1.0000000000 a 34 2 , , , , 1 , 1 , 1 , -1 , , a 11 1 , , , , 1 ,34 ,34 , , , 10099 2.752501144424736E+003 1.00000000E+000 /A 20099 8.678035695538855E+002 1.00000000E+000 /B 30099 6.596496469197232E+002 1.00000000E+000 /C 299 -3.107214328313498E-005 1.00000000E+000 /-DJ 1199 2.548895969657714E-004 1.00000000E+000 /-DJK 2099 -1.749813390033068E-003 1.00000000E+000 /-DK 40199 -1.133458889979754E-005 1.00000000E+000 /-delJ 41099 -5.935133327431901E-005 1.00000000E+000 /-delK 399 9.664411642979745E-012 1.00000000E+000 /HJ 1299 -1.184000000000000E-010 1.00000000E-037 /HJK 2199 2.320000000000000E-010 1.00000000E-037 /HKJ 3099 2.233000000000000E-009 1.00000000E-037 /HK 40299 4.790000000000005E-012 1.00000000E-037 /hJ 41199 0.000000000000000E+000 1.00000000E-037 /hJK 42099 1.013000000000000E-009 1.00000000E-037 /hK 110010000 -5.345008300764860E+001 1.00000000E+000 /X.aa*3/2 110040000 -4.290883659554201E+000 1.00000000E+000 /X(b-c)/4 110610000 3.790000000000000E+001 1.00000000E-037 /X.ab 220010000 -3.914329020455301E+000 1.00000000E+000 /X.aa*3/2 220040000 -3.407976434613061E-001 1.00000000E+000 /X(b-c)/4 220610000 -2.970000000000000E+000 1.00000000E-037 /X.ab ! !------------------------------------------------------------------------------- ! Simplified relative to the 2006 version ! ! RMS ERROR= 0.64154 0.64154 ! 37Cl 3-chlorobenzonitrile F1,F coupling Mon Mar 11 22:48:47 2019 21 230 5 0 0.0000E+000 1.0000E+020 1.0000E+000 1.0000000000 a 34 2 , , , , 1 , 1 , 1 , -1 , , a 11 1 , , , , 1 ,34 ,34 , , , 10099 2.752501144424736E+003 1.00000000E+000 /A 20099 8.678035695538855E+002 1.00000000E+000 /B 30099 6.596496469197232E+002 1.00000000E+000 /C 299 -3.107214328313498E-005 1.00000000E+000 /-DJ 1199 2.548895969657714E-004 1.00000000E+000 /-DJK 2099 -1.749813390033068E-003 1.00000000E+000 /-DK 40199 -1.133458889979754E-005 1.00000000E+000 /-delJ 41099 -5.935133327431901E-005 1.00000000E+000 /-delK 399 9.664411642979745E-012 1.00000000E+000 /HJ 1299 -1.184000000000000E-010 1.00000000E-037 /HJK 2199 2.320000000000000E-010 1.00000000E-037 /HKJ 3099 2.233000000000000E-009 1.00000000E-037 /HK 40299 4.790000000000005E-012 1.00000000E-037 /hJ 41199 0.000000000000000E+000 1.00000000E-037 /hJK 42099 1.013000000000000E-009 1.00000000E-037 /hK 110010000 -5.345008300764860E+001 1.00000000E+000 /X.aa*3/2 110040000 -4.290883659554201E+000 1.00000000E+000 /X(b-c)/4 110610000 3.790000000000000E+001 1.00000000E-037 /X.ab 220010000 -3.914329020455301E+000 1.00000000E+000 /X.aa*3/2 220040000 -3.407976434613061E-001 1.00000000E+000 /X(b-c)/4 220610000 -2.970000000000000E+000 1.00000000E-037 /X.ab ! !------------------------------------------------------------------------------- ! !------------------------------------------------------------------------------- ! ! with Jaman lines, Chiab's adjusted to reproduce +- 0.63 deg frame rotation ! ! ! RMS ERROR= 0.64151 0.64151 ! 37Cl 3-chlorobenzonitrile F1,F coupling Wed Apr 05 23:19:56 2006 29 230 5 0 0.0000E+000 1.0000E+020 1.0000E+000 1.0000000000 a 34 2 , , , , 1 , 1 , 1 , -1 , , a 11 1 , , , , 1 ,34 ,34 , , , 10000 2.752501143239654E+003 1.00000000E+000 /A -10011 2.752501143239654E+003 1.00000000E-037 /A 20000 8.678035708394608E+002 1.00000000E+000 /B -20011 8.678035708394608E+002 1.00000000E-037 /B 30000 6.596496468891264E+002 1.00000000E+000 /C -30011 6.596496468891264E+002 1.00000000E-037 /C 200 -3.107218944170088E-005 1.00000000E+000 /-DJ -211 -3.107218944170088E-005 1.00000000E-037 /-DJ 1100 2.548898695373982E-004 1.00000000E+000 /-DJK -1111 2.548898695373982E-004 1.00000000E-037 /-DJK 2000 -1.749813334441443E-003 1.00000000E+000 /-DK -2011 -1.749813334441443E-003 1.00000000E-037 /-DK 40100 -1.133461059083033E-005 1.00000000E+000 /-delJ -40111 -1.133461059083033E-005 1.00000000E-037 /-delJ 41000 -5.935171136074204E-005 1.00000000E+000 /-delK -41011 -5.935171136074204E-005 1.00000000E-037 /-delK 311 9.664470112443578E-012 1.00000000E+000 /HJ 1211 -1.184000000000000E-010 1.00000000E-035 /HJK 2111 2.320000000000000E-010 1.00000000E-035 /HKJ 3011 2.233000000000000E-009 1.00000000E-035 /HK 40211 4.790000000000005E-012 1.00000000E-035 /hJ 41111 1.000000000000000E-031 1.00000000E-035 /hJK 42011 1.013000000000000E-009 1.00000000E-035 /hK 110010000 -5.344985446795526E+001 1.00000000E+000 /X.aa*3/2 110040000 -4.290960118205318E+000 1.00000000E+000 /X(b-c)/4 110610000 3.790000000000000E+001 9.00000000E-030 /X.ab 220010000 -3.914501795852006E+000 1.00000000E+000 /X.aa*3/2 220040000 -3.407343930616010E-001 1.00000000E+000 /X(b-c)/4 220610000 -2.955000000000000E+000 2.00000000E-030 /X.ab ! ! !------------------------------------------------------------------------------- ! ! without Jaman lines, 37Cl scaled ! ! NEW RMS ERROR= 0.76950 0.76950 ! 37Cl 3-chlorobenzonitrile F1,F coupling Thu Jan 05 19:42:11 2006 29 91 5 0 0.0000E+000 1.0000E+020 1.0000E+000 1.0000000000 a 34 2 , , , , 1 , 1 , 1 , -1 , , a 11 1 , , , , 1 ,34 ,34 , , , 10000 2.752502747781329E+003 1.00000000E+000 /A -10011 2.752502747781329E+003 1.00000000E-037 /A 20000 8.677985632508991E+002 1.00000000E+000 /B -20011 8.677985632508991E+002 1.00000000E-037 /B 30000 6.596292518597895E+002 1.00000000E+000 /C -30011 6.596292518597895E+002 1.00000000E-037 /C 200 -3.052477711153860E-005 1.00000000E+000 /-DJ -211 -3.052477711153860E-005 1.00000000E-037 /-DJ 1100 2.561630090441645E-004 1.00000000E+000 /-DJK -1111 2.561630090441645E-004 1.00000000E-037 /-DJK 2000 -1.752006944789184E-003 1.00000000E+000 /-DK -2011 -1.752006944789184E-003 1.00000000E-037 /-DK 40100 -1.148079675582834E-005 1.00000000E+000 /-delJ -40111 -1.148079675582834E-005 1.00000000E-037 /-delJ 41000 -6.138882016366012E-005 1.00000000E+000 /-delK -41011 -6.138882016366012E-005 1.00000000E-037 /-delK 311 -1.977214252760822E-012 1.00000000E+000 /HJ 1211 -1.180360000000000E-010 1.00000000E-035 /HJK 2111 2.341500000000000E-010 1.00000000E-035 /HKJ 3011 2.228684000000000E-009 1.00000000E-035 /HK 40211 4.765000000000002E-012 1.00000000E-035 /hJ 41111 1.000000000000000E-031 1.00000000E-035 /hJK 42011 1.019584000000000E-009 1.00000000E-035 /hK 110010000 -5.212252152717837E+001 1.00000000E+000 /X.aa*3/2 110040000 -4.463400000000000E+000 1.00000000E-030 /X(b-c)/4 110610000 -3.817000000000000E+001 9.00000000E-030 /X.ab 220010000 -3.914096094863156E+000 1.00000000E+000 /X.aa*3/2 220040000 -3.405566262970695E-001 1.00000000E+000 /X(b-c)/4 220610000 2.918000000000000E+000 2.00000000E-030 /X.ab ! !------------------------------------------------------------------------------- !