freon133a: 13C2 + 37Cl Fri Feb 03 12:59:48 2017 -------------------------------------------------------------------------------------========= obs o-c error blends Notes o-c wt / instead of : below denotes (o-c)>3*err -------------------------------------------------------------------------------------========= 1: 3 1 3 5 2 0 2 4 13999.6783 0.0008 0.005 2: 3 1 3 4 2 0 2 3 13998.4544 -0.0014 0.005 3: 3 1 3 2 2 0 2 1 13997.8250 -0.0010 0.005 4: 3 1 3 3 2 0 2 2 13996.7556 -0.0004 0.005 ! 5: 2 2 0 4 1 1 1 3 17750.4039 -0.0014 0.005 6: 2 2 0 3 1 1 1 2 17758.3320 -0.0037 0.005 ! 7: 4 1 4 6 3 0 3 5 17452.0099 0.0008 0.005 8: 4 1 4 3 3 0 3 2 17451.6702 0.0002 0.005 9: 4 1 4 5 3 0 3 4 17449.9771 0.0049 0.005 10: 4 1 4 4 3 0 3 3 17449.6230 -0.0010 0.005 11: 3 1 3 3 2 0 2 3 14003.2683 -0.0019 0.005 12: 3 1 3 4 2 0 2 4 13989.3810 -0.0028 0.005 ! 13: 5 0 5 7 4 1 4 6 13933.2502 -0.0012 0.005 14: 5 0 5 6 4 1 4 5 13935.2080 -0.0026 0.005 ! 15: 2 1 2 2 1 0 1 2 10545.2522 -0.0030 0.005 16: 2 1 2 3 1 0 1 2 10539.5561 0.0000 0.005 17: 2 1 2 3 1 0 1 3 10530.4744 -0.0002 0.005 ! 18: 4 0 4 5 3 1 3 4 10413.2480 0.0021 0.005 19: 4 0 4 4 3 1 3 3 10411.6449 -0.0005 0.005 ! 20: 2 2 0 4 2 1 1 4 10739.6458 0.0059 0.005 21: 2 2 1 4 1 1 0 3 17734.0105 -0.0006 0.005 22: 2 2 1 1 1 1 0 2 17719.5364 -0.0006 0.005 23: 3 2 2 5 3 1 3 5 10818.5628 -0.0035 0.005 24: 2 2 1 3 2 1 2 3 10807.6569 -0.0015 0.005 25: 2 2 0 3 2 1 1 3 10749.7882 -0.0002 0.005 26: 3 2 1 4 3 1 2 4 10718.5524 0.0037 0.005 ! 27: 3 1 3 2 2 0 2 2 14006.9027 -0.0015 0.005 ! 28: 3 2 2 2 3 1 3 2 10813.9145 -0.0022 0.005 29: 2 2 1 2 2 1 2 3 10801.2583 0.0005 0.005 30: 2 2 0 2 2 1 1 2 10742.6220 0.0028 0.005 ! 31: 3 1 2 4 2 1 1 3 10487.2094 0.0021 0.005 ! 32: 3 0 3 5 2 0 2 4 10462.4661 0.0050 0.005 33: 4 0 4 3 3 1 3 2 10410.6398 -0.0003 0.005 ! 34: 1 1 1 1 0 0 0 2 7067.1663 0.0039 0.005 35: 1 1 1 3 0 0 0 2 7068.0268 0.0078 0.005 ! 36: 2 2 0 2 1 1 1 2 17751.9552 -0.0019 0.005 37: 2 2 1 3 1 1 0 2 17735.1044 -0.0017 0.005 ! 38: 4 2 3 5 4 1 4 5 10862.1514 0.0047 0.005 39: 4 2 3 6 4 1 4 6 10854.6408 0.0070 0.005 40: 5 2 4 7 5 1 5 7 10899.2776 -0.0027 0.005 ! 41: 2 2 0 2 2 1 1 3 10743.4016 -0.0083 0.005 ! 42: 3 2 1 5 3 1 2 5 10715.0320 -0.0022 0.005 ! 43: 3 1 2 5 2 1 1 4 10489.5688 -0.0004 0.005 ! 44: 3 0 3 3 2 0 2 2 10460.1725 -0.0031 0.005 ! 45: 2 1 2 4 1 0 1 3 10538.4318 0.0006 0.005 ! 46: 4 0 4 6 3 1 3 5 10412.0980 0.0024 0.005 ! 47: 1 1 1 2 0 0 0 2 7069.1551 0.0129 0.005 -------------------------------------------------------------------------------- PARAMETERS IN FIT (values truncated and Nlines statistics): 10000 A /MHz 5333.36724(42) 1 20000 B /MHz 1752.56295(20) 2 30000 C /MHz 1734.87318(18) 3 200 DJ /kHz [ 0.2684] 4 1100 DJK /kHz [ 2.6291] 5 2000 DK /kHz [-1.5204] 6 40100 deltaJ /kHz [-0.0000044] 7 41000 deltaK /kHz [ 0.4068] 8 110010000 chi.aa*3/2 /MHz -54.4161(99) 9 110040000 chi(b-c)/4 /MHz -6.8576(26) 10 110610000 chi.ab /MHz 40.77(23) 11 MICROWAVE AVG = 0.000337 MHz, IR AVG = 0.00000 MICROWAVE RMS = 0.003616 MHz, IR RMS = 0.00000 END OF ITERATION 1 OLD, NEW RMS ERROR= 0.72322 0.72322 distinct frequency lines in fit: 47 distinct parameters of fit: 6 upper state lower state overall limits of quantum number 1: 1 5 0 5 0 5 limits of quantum number 2: 0 2 0 1 0 2 limits of quantum number 3: 0 5 0 5 0 5 limits of quantum number 4: 1 7 1 7 1 7 frequency range: 7067 17758 PARAMETERS IN FIT WITH STANDARD ERRORS ON THOSE THAT ARE FITTED: (values rounded and degrees of freedom, Ndegf=Nlines-Nconst, statistics) 10000 A /MHz 5333.36724(32) 1 20000 B /MHz 1752.56295(15) 2 30000 C /MHz 1734.87318(14) 3 200 DJ /kHz [ 0.2684] 4 1100 DJK /kHz [ 2.6291] 5 2000 DK /kHz [-1.5204] 6 40100 deltaJ /kHz [-0.0000044] 7 41000 deltaK /kHz [ 0.4068] 8 110010000 chi.aa*3/2 /MHz -54.4161(76) 9 110040000 chi(b-c)/4 /MHz -6.8577(20) 10 110610000 chi.ab /MHz 40.77(18) 11 CORRELATION COEFFICIENTS, C.ij: A B C chi.aa*3 chi(b-c) chi.ab A 1.0000 B 0.1959 1.0000 C -0.0336 0.1370 1.0000 chi.aa*3/2 -0.0045 -0.0874 -0.0180 1.0000 chi(b-c)/4 -0.0011 0.0288 -0.0276 -0.0315 1.0000 chi.ab -0.4779 -0.0679 0.1838 0.0342 -0.1337 1.0000 Mean value of |C.ij|, i.ne.j = 0.0975 Mean value of C.ij, i.ne.j = -0.0202 No correlations with absolute value greater than 0.9950 Worst fitted lines (obs-calc/error): 47: 2.6 41: -1.7 35: 1.6 39: 1.4 20: 1.2 32: 1.0 9: 1.0 38: 0.9 34: 0.8 26: 0.7 6: -0.7 23: -0.7 44: -0.6 15: -0.6 12: -0.6 30: 0.6 40: -0.5 14: -0.5 46: 0.5 42: -0.4 28: -0.4 18: 0.4 31: 0.4 11: -0.4 36: -0.4 37: -0.3 27: -0.3 24: -0.3 5: -0.3 2: -0.3 13: -0.2 10: -0.2 3: -0.2 1: 0.2 7: 0.2 45: 0.1 22: -0.1 21: -0.1 29: 0.1 19: -0.1 43: -0.1 4: -0.1 33: -0.1 25: 0.0 17: 0.0 8: 0.0 16: 0.0 47: 1 1 1 2 0 0 0 2 7069.1551 0.0129 0.005 41: 2 2 0 2 2 1 1 3 10743.4016 -0.0083 0.005 35: 1 1 1 3 0 0 0 2 7068.0268 0.0078 0.005 39: 4 2 3 6 4 1 4 6 10854.6408 0.0070 0.005 20: 2 2 0 4 2 1 1 4 10739.6458 0.0059 0.005 32: 3 0 3 5 2 0 2 4 10462.4661 0.0050 0.005 9: 4 1 4 5 3 0 3 4 17449.9771 0.0049 0.005 38: 4 2 3 5 4 1 4 5 10862.1514 0.0047 0.005 34: 1 1 1 1 0 0 0 2 7067.1663 0.0039 0.005 26: 3 2 1 4 3 1 2 4 10718.5524 0.0037 0.005 _____________________________________ __________________________________________/ SPFIT output reformatted with PIFORM