2-aminopyridine...water D-5 Wed Oct 13 15:27:10 2021 -------------------------------------------------------------------------------------========= obs o-c error blends Notes o-c wt / instead of : below denotes (o-c)>3*err -------------------------------------------------------------------------------------========= ! ! bR ! 1: 2 2 1 2 4 1 1 0 2 3 11910.0576 -0.0014 0.002 2: 2 2 1 0 2 1 1 0 0 1 11910.2236 0.0039 0.002 3: 2 2 1 1 3 1 1 0 2 2 11910.5730 0.0020 0.002 -0.0025 0.50 4: 2 2 1 2 3 1 1 0 1 2 11910.5730 -0.0070 0.002 -0.0025 0.50 ! ! aR ! 5: 3 0 3 1 3 2 0 2 1 2 6873.0682 0.0041 0.002 6/ 3 0 3 2 5 2 0 2 2 4 6873.2663 0.0120 0.002 7/ 3 0 3 0 3 2 0 2 0 2 6873.3055 0.0125 0.002 8: 3 0 3 2 3 2 0 2 2 2 6873.4875 0.0059 0.002 9/ 3 0 3 1 4 2 0 2 1 3 6873.5191 0.0099 0.002 ! 10: 3 1 2 2 3 2 1 1 2 2 7552.7322 -0.0048 0.002 11: 3 1 2 1 4 2 1 1 1 3 7552.8067 -0.0023 0.002 12/ 3 1 2 2 5 2 1 1 2 4 7552.8671 -0.0073 0.002 ! 13/ 3 1 3 1 4 2 1 2 1 3 6459.3802 -0.0068 0.002 14: 3 1 3 2 2 2 1 2 2 1 6459.4951 0.0008 0.002 15/ 3 1 3 2 3 2 1 2 2 2 6459.6140 -0.0063 0.002 16/ 3 1 3 2 5 2 1 2 2 4 6459.6807 -0.0095 0.002 ! 17: 4 0 4 0 4 3 0 3 0 3 8998.2747 0.0052 0.002 18: 4 0 4 1 4 3 0 3 2 3 8998.3451 0.0030 0.002 19: 4 0 4 1 3 3 0 3 2 2 8998.4219 -0.0010 0.002 20: 4 0 4 2 5 3 0 3 1 4 8998.4927 0.0025 0.002 ! 21: 4 1 4 1 5 3 1 3 2 5 8570.8595 0.0011 0.002 22: 4 1 4 2 3 3 1 3 1 3 8571.1176 0.0023 0.002 23: 4 1 4 1 5 3 1 3 1 4 8571.7217 -0.0023 0.002 24: 4 1 4 0 4 3 1 3 0 3 8571.8636 -0.0081 0.002 -0.0045 0.40 25: 4 1 4 2 6 3 1 3 2 5 8571.8636 -0.0020 0.002 -0.0045 0.60 ! 26: 4 1 3 2 3 3 1 2 2 2 10016.4061 -0.0050 0.002 0.0022 0.28 27: 4 1 3 2 6 3 1 2 2 5 10016.4061 0.0050 0.002 0.0022 0.72 28: 4 1 3 1 5 3 1 2 1 4 10016.4983 -0.0015 0.002 ! 29: 5 1 5 1 6 4 1 4 1 5 10656.1618 -0.0014 0.002 30: 5 1 5 2 6 4 1 4 2 5 10656.3832 -0.0007 0.002 ! 31/ 5 0 5 2 7 4 0 4 2 6 11027.5112 -0.0062 0.002 32: 5 0 5 0 5 4 0 4 0 4 11027.5616 -0.0005 0.002 33/ 5 0 5 1 4 4 0 4 1 3 11027.7397 -0.0070 0.002 34/ 5 0 5 2 6 4 0 4 2 5 11027.7841 -0.0061 0.002 ! 35: 6 1 6 1 7 5 1 5 1 6 12713.4900 0.0032 0.002 36: 6 1 6 1 6 5 1 5 1 5 12713.6072 0.0036 0.002 37: 6 1 6 2 7 5 1 5 2 6 12713.6599 0.0028 0.002 -------------------------------------------------------------------------------- PARAMETERS IN FIT (values truncated and Nlines statistics): 10000 A /MHz 3640.33734(40) 1 20000 B /MHz 1354.60498(24) 2 30000 C /MHz 989.28823(22) 3 200 DJ /kHz 0.2532(31) 4 1100 DJK /kHz [ 0.419] 5 2000 DK /kHz [ 2.205] 6 40100 delJ /kHz [ 0.05881] 7 41000 delK /kHz [ 0.6119] 8 110010000 1:X.aa*3/2 /MHz 3.113(22) 9 110040000 1:X(b-c)/4 /MHz 1.5415(49) 10 110610000 1:Xab /MHz [ 0.] 11 220010000 2:X.aa*3/2 /MHz -4.821(11) 12 220040000 2:X(b-c)/4 /MHz -0.1455(29) 13 220610000 2:Xab /MHz [ 1.43] 14 MICROWAVE AVG = 0.000079 MHz, IR AVG = 0.00000 MICROWAVE RMS = 0.005383 MHz, IR RMS = 0.00000 END OF ITERATION 1 OLD, NEW RMS ERROR= 2.69157 2.69157 distinct frequency lines in fit: 34 distinct parameters of fit: 8 upper state lower state overall limits of quantum number 1: 2 6 1 5 1 6 limits of quantum number 2: 0 2 0 1 0 2 limits of quantum number 3: 1 6 0 5 0 6 limits of quantum number 4: 0 2 0 2 0 2 limits of quantum number 5: 2 7 1 6 1 7 frequency range: 6459 12713 PARAMETERS IN FIT WITH STANDARD ERRORS ON THOSE THAT ARE FITTED: (values rounded and degrees of freedom, Ndegf=Nlines-Nconst, statistics) 10000 A /MHz 3640.3373(12) 1 20000 B /MHz 1354.60499(75) 2 30000 C /MHz 989.28824(67) 3 200 DJ /kHz 0.2533(94) 4 1100 DJK /kHz [ 0.419] 5 2000 DK /kHz [ 2.205] 6 40100 delJ /kHz [ 0.05881] 7 41000 delK /kHz [ 0.6119] 8 110010000 1:X.aa*3/2 /MHz 3.113(68) 9 110040000 1:X(b-c)/4 /MHz 1.542(15) 10 110610000 1:Xab /MHz [ 0.] 11 220010000 2:X.aa*3/2 /MHz -4.821(34) 12 220040000 2:X(b-c)/4 /MHz -0.1455(89) 13 220610000 2:Xab /MHz [ 1.43] 14 CORRELATION COEFFICIENTS, C.ij: A B C -DJ 1:X.aa*3 1:X(b-c) 2:X.aa*3 2:X(b-c) A 1.0000 B 0.1275 1.0000 C -0.1715 -0.4970 1.0000 -DJ 0.1113 0.2024 -0.9071 1.0000 1:X.aa*3/2 -0.1954 -0.4859 0.3436 -0.2109 1.0000 1:X(b-c)/4 -0.1454 -0.0377 0.0407 -0.0387 0.4714 1.0000 2:X.aa*3/2 0.0545 0.1515 -0.2365 0.1960 -0.0097 -0.3023 1.0000 2:X(b-c)/4 -0.0233 -0.1134 -0.0233 0.0472 -0.0145 0.3280 -0.6814 1.0000 Mean value of |C.ij|, i.ne.j = 0.2203 Mean value of C.ij, i.ne.j = -0.0721 No correlations with absolute value greater than 0.9950 Worst fitted lines (obs-calc/error): 7: 6.2 6: 6.0 9: 5.0 16: -4.8 12: -3.6 33: -3.5 13: -3.4 15: -3.1 31: -3.1 34: -3.1 8: 2.9 17: 2.6 10: -2.4 24: -2.3 5: 2.1 2: 1.9 36: 1.8 35: 1.6 18: 1.5 37: 1.4 3: -1.3 20: 1.2 11: -1.1 23: -1.1 22: 1.1 26: 1.1 28: -0.8 29: -0.7 1: -0.7 21: 0.6 19: -0.5 14: 0.4 30: -0.3 32: -0.2 27: 0.0 25: 0.0 4: 0.0 7/ 3 0 3 0 3 2 0 2 0 2 6873.3055 0.0125 0.002 6/ 3 0 3 2 5 2 0 2 2 4 6873.2663 0.0120 0.002 9/ 3 0 3 1 4 2 0 2 1 3 6873.5191 0.0099 0.002 16/ 3 1 3 2 5 2 1 2 2 4 6459.6807 -0.0095 0.002 12/ 3 1 2 2 5 2 1 1 2 4 7552.8671 -0.0073 0.002 33/ 5 0 5 1 4 4 0 4 1 3 11027.7397 -0.0070 0.002 13/ 3 1 3 1 4 2 1 2 1 3 6459.3802 -0.0068 0.002 15/ 3 1 3 2 3 2 1 2 2 2 6459.6140 -0.0063 0.002 31/ 5 0 5 2 7 4 0 4 2 6 11027.5112 -0.0062 0.002 34/ 5 0 5 2 6 4 0 4 2 5 11027.7841 -0.0061 0.002 _____________________________________ __________________________________________/ SPFIT output reformatted with PIFORM