freon133a: 13C1 + 37Cl Fri Feb 03 12:56:19 2017 -------------------------------------------------------------------------------------========= obs o-c error blends Notes o-c wt / instead of : below denotes (o-c)>3*err -------------------------------------------------------------------------------------========= ! 1: 1 1 1 1 0 0 0 2 7016.9037 0.0005 0.005 2: 1 1 1 2 0 0 0 2 7018.8062 0.0058 0.005 3: 1 1 1 3 0 0 0 2 7017.7297 0.0075 0.005 ! 4: 2 1 2 2 1 0 1 1 10473.7204 0.0005 0.005 5: 2 1 2 2 1 0 1 2 10489.9544 -0.0041 0.005 6: 2 1 2 3 1 0 1 2 10484.2551 -0.0025 0.005 7: 2 1 2 4 1 0 1 3 10483.1771 -0.0006 0.005 ! 8: 2 2 0 1 1 1 1 1 17603.8832 -0.0009 0.005 9: 2 2 0 2 1 1 1 2 17611.4777 -0.0016 0.005 10: 2 2 0 3 1 1 1 2 17617.6014 -0.0055 0.005 11: 2 2 0 3 1 1 1 3 17618.6877 0.0026 0.005 12: 2 2 0 4 1 1 1 3 17609.7469 -0.0025 0.005 ! 13: 2 2 0 2 2 1 1 2 10591.6094 0.0026 0.005 14: 2 2 0 2 2 1 1 3 10592.3649 0.0000 0.005 15: 2 2 0 4 2 1 1 4 10588.5043 -0.0031 0.005 ! 16: 2 2 1 2 1 1 0 2 17582.8149 -0.0011 0.005 17: 2 2 1 3 1 1 0 2 17589.1310 -0.0009 0.005 18: 2 2 1 4 1 1 0 3 17588.0976 -0.0019 0.005 ! 19: 2 2 1 3 2 1 2 3 10671.6054 0.0038 0.005 20: 2 2 1 4 2 1 2 4 10654.6526 -0.0007 0.005 ! 21: 3 0 3 5 2 1 2 4 6955.3743 0.0017 0.005 ! 22: 3 1 3 2 2 0 2 1 13935.0356 0.0029 0.005 23: 3 1 3 3 2 0 2 2 13933.9819 -0.0032 0.005 24: 3 1 3 3 2 0 2 3 13940.4716 -0.0006 0.005 25: 3 1 3 4 2 0 2 3 13935.6431 -0.0008 0.005 26: 3 1 3 4 2 0 2 4 13926.6089 -0.0012 0.005 27: 3 1 3 5 2 0 2 4 13936.9320 0.0000 0.005 ! 28: 3 2 1 2 3 1 2 2 10555.1914 0.0048 0.005 29: 3 2 1 5 3 1 2 5 10556.2913 0.0000 0.005 ! 30: 4 0 4 4 3 1 3 3 10474.8178 -0.0003 0.005 31: 4 0 4 6 3 1 3 5 10475.2489 0.0065 0.005 ! 32: 4 1 3 5 3 1 2 4 13995.3720 -0.0020 0.005 33: 4 1 3 6 3 1 2 5 13996.0408 0.0043 0.005 ! 34: 4 1 4 3 3 0 3 2 17378.9607 -0.0036 0.005 35: 4 1 4 4 3 0 3 3 17376.8965 -0.0008 0.005 36: 4 1 4 5 3 0 3 4 17377.2332 -0.0009 0.005 37: 4 1 4 6 3 0 3 5 17379.2918 -0.0009 0.005 ! 38: 4 2 2 3 4 1 3 3 10512.4836 0.0073 0.005 39: 4 2 2 4 4 1 3 4 10513.2155 0.0022 0.005 40: 4 2 2 5 4 1 3 5 10513.4598 0.0011 0.005 41: 4 2 2 6 4 1 3 6 10512.7532 0.0024 0.005 ! 42: 4 2 3 4 4 1 4 4 10741.4007 -0.0077 0.005 43: 4 2 3 5 4 1 4 5 10744.0548 0.0032 0.005 ! 44: 5 0 5 4 4 1 4 3 14004.6243 -0.0008 0.005 45: 5 0 5 6 4 1 4 5 14007.9068 -0.0023 0.005 46: 5 0 5 7 4 1 4 6 14005.9507 -0.0012 0.005 ! 47: 5 2 4 5 5 1 5 5 10798.4385 -0.0057 0.005 48: 5 2 4 7 5 1 5 7 10794.0354 0.0060 0.005 ! 49: 6 0 6 5 5 1 5 4 17545.7405 0.0059 0.005 50: 6 0 6 7 5 1 5 6 17549.1885 0.0034 0.005 51: 6 0 6 8 5 1 5 7 17546.8232 -0.0025 0.005 -------------------------------------------------------------------------------- PARAMETERS IN FIT (values truncated and Nlines statistics): 10000 A /MHz 5285.53961(40) 1 20000 B /MHz 1755.18690(14) 2 30000 C /MHz 1732.39521(18) 3 200 DJ /kHz [ 0.2667] 4 1100 DJK /kHz [ 2.533] 5 2000 DK /kHz [-1.4704] 6 40100 deltaJ /kHz [ 0.00135] 7 41000 deltaK /kHz [ 0.0903] 8 110010000 chi.aa*3/2 /MHz -54.155(11) 9 110040000 chi(b-c)/4 /MHz -6.9055(26) 10 110610000 chi.ab /MHz 41.15(10) 11 MICROWAVE AVG = 0.000287 MHz, IR AVG = 0.00000 MICROWAVE RMS = 0.003427 MHz, IR RMS = 0.00000 END OF ITERATION 1 OLD, NEW RMS ERROR= 0.68532 0.68532 distinct frequency lines in fit: 51 distinct parameters of fit: 6 upper state lower state overall limits of quantum number 1: 1 6 0 5 0 6 limits of quantum number 2: 0 2 0 1 0 2 limits of quantum number 3: 0 6 0 5 0 6 limits of quantum number 4: 1 8 1 7 1 8 frequency range: 6955 17618 PARAMETERS IN FIT WITH STANDARD ERRORS ON THOSE THAT ARE FITTED: (values rounded and degrees of freedom, Ndegf=Nlines-Nconst, statistics) 10000 A /MHz 5285.53961(29) 1 20000 B /MHz 1755.18690(10) 2 30000 C /MHz 1732.39521(13) 3 200 DJ /kHz [ 0.2667] 4 1100 DJK /kHz [ 2.533] 5 2000 DK /kHz [-1.4704] 6 40100 deltaJ /kHz [ 0.00135] 7 41000 deltaK /kHz [ 0.0903] 8 110010000 chi.aa*3/2 /MHz -54.1554(82) 9 110040000 chi(b-c)/4 /MHz -6.9056(19) 10 110610000 chi.ab /MHz 41.158(78) 11 CORRELATION COEFFICIENTS, C.ij: A B C chi.aa*3 chi(b-c) chi.ab A 1.0000 B 0.2690 1.0000 C -0.0154 0.2255 1.0000 chi.aa*3/2 0.0382 0.0395 -0.1315 1.0000 chi(b-c)/4 0.0172 -0.1036 -0.1339 0.1579 1.0000 chi.ab -0.5152 -0.0848 0.0511 -0.0920 0.0198 1.0000 Mean value of |C.ij|, i.ne.j = 0.1263 Mean value of C.ij, i.ne.j = -0.0172 No correlations with absolute value greater than 0.9950 Worst fitted lines (obs-calc/error): 42: -1.5 3: 1.5 38: 1.5 31: 1.3 48: 1.2 49: 1.2 2: 1.2 47: -1.1 10: -1.1 28: 1.0 33: 0.9 5: -0.8 19: 0.8 34: -0.7 50: 0.7 43: 0.6 23: -0.6 15: -0.6 22: 0.6 11: 0.5 13: 0.5 51: -0.5 12: -0.5 6: -0.5 41: 0.5 45: -0.5 39: 0.4 32: -0.4 18: -0.4 21: 0.3 9: -0.3 46: -0.2 26: -0.2 16: -0.2 40: 0.2 17: -0.2 37: -0.2 36: -0.2 8: -0.2 44: -0.2 35: -0.2 25: -0.2 20: -0.1 7: -0.1 24: -0.1 4: 0.1 1: 0.1 30: -0.1 29: 0.0 27: 0.0 42: 4 2 3 4 4 1 4 4 10741.4007 -0.0077 0.005 3: 1 1 1 3 0 0 0 2 7017.7297 0.0075 0.005 38: 4 2 2 3 4 1 3 3 10512.4836 0.0073 0.005 31: 4 0 4 6 3 1 3 5 10475.2489 0.0065 0.005 48: 5 2 4 7 5 1 5 7 10794.0354 0.0060 0.005 49: 6 0 6 5 5 1 5 4 17545.7405 0.0059 0.005 2: 1 1 1 2 0 0 0 2 7018.8062 0.0058 0.005 47: 5 2 4 5 5 1 5 5 10798.4385 -0.0057 0.005 10: 2 2 0 3 1 1 1 2 17617.6014 -0.0055 0.005 28: 3 2 1 2 3 1 2 2 10555.1914 0.0048 0.005 _____________________________________ __________________________________________/ SPFIT output reformatted with PIFORM