Ar2...H35Cl Wed Oct 04 15:53:10 2017 -------------------------------------------------------------------------------------========= obs o-c error blends Notes o-c wt / instead of : below denotes (o-c)>3*err -------------------------------------------------------------------------------------========= ! ! from T.D.Klots et al., J.Chem.Phys. 86 (1987) 3515 ! 1: 1 0 1 2 0 0 0 2 2506.7230 0.0009 0.003 2: 1 0 1 3 0 0 0 2 2513.7500 -0.0005 0.003 ! 3: 2 0 2 2 1 0 1 1 4256.1930 0.0007 0.003 4: 2 0 2 3 1 0 1 3 4258.7430 -0.0016 0.003 5: 2 0 2 1 1 0 1 1 4260.4750 0.0034 0.003 6: 2 0 2 4 1 0 1 3 4263.0410 0.0016 0.003 7: 2 0 2 3 1 0 1 2 4265.7720 -0.0011 0.003 8: 2 0 2 2 1 0 1 2 4268.8480 -0.0014 0.003 ! 9: 2 2 0 1 1 0 1 1 7684.6040 0.0021 0.003 10: 2 2 0 4 1 0 1 3 7693.2870 0.0029 0.003 11: 2 2 0 3 1 0 1 3 7697.5780 -0.0041 0.003 12: 2 2 0 2 1 0 1 2 7701.5410 0.0026 0.003 13: 2 2 0 3 1 0 1 2 7704.6060 -0.0047 0.003 ! 14: 3 2 2 5 3 0 3 5 4281.8020 0.0035 0.003 15: 3 2 2 3 3 0 3 3 4284.4660 -0.0015 0.003 16: 3 2 2 4 3 0 3 4 4286.8150 -0.0004 0.003 ! 17: 3 0 3 4 2 0 2 4 5919.5190 -0.0019 0.003 18: 3 0 3 3 2 0 2 2 5923.0820 0.0003 0.003 19: 3 0 3 2 2 0 2 1 5923.8150 -0.0030 0.003 -0.0019 0.50 20: 3 0 3 4 2 0 2 3 5923.8150 -0.0006 0.003 -0.0019 0.50 21: 3 0 3 5 2 0 2 4 5924.5340 0.0027 0.003 22: 3 0 3 3 2 0 2 3 5926.1540 -0.0039 0.003 23: 3 0 3 2 2 0 2 2 5928.1010 0.0036 0.003 ! 24: 3 2 2 4 2 2 1 3 7531.0450 0.0019 0.003 25: 3 2 2 3 2 2 1 2 7536.0630 -0.0019 0.003 26: 3 2 2 5 2 2 1 4 7538.0730 0.0029 0.003 27: 3 2 2 2 2 2 1 1 7543.0980 0.0000 0.003 ! 28: 3 2 1 2 2 0 2 1 12577.9760 -0.0009 0.003 29: 3 2 1 4 2 0 2 4 12578.0690 -0.0067 0.003 30: 3 2 1 5 2 0 2 4 12580.0890 0.0001 0.003 31: 3 2 1 3 2 0 2 2 12580.2300 -0.0036 0.003 32: 3 2 1 2 2 0 2 2 12582.2640 0.0077 0.003 33: 3 2 1 4 2 0 2 3 12582.3730 0.0025 0.003 ! 34: 3 2 1 4 2 2 0 3 9143.5350 0.0021 0.003 35: 3 2 1 3 2 2 0 2 9147.5450 0.0002 0.003 36: 3 2 1 2 2 2 0 2 9149.5690 0.0016 0.003 37: 3 2 1 5 2 2 0 4 9149.8470 0.0028 0.003 ! 38: 4 0 4 5 3 0 3 5 7605.4950 -0.0034 0.003 39: 4 0 4 4 3 0 3 3 7610.1190 0.0000 0.003 40: 4 0 4 5 3 0 3 4 7610.5100 0.0011 0.003 41: 4 0 4 3 3 0 3 2 7610.6730 0.0014 0.003 42: 4 0 4 6 3 0 3 5 7611.0630 0.0026 0.003 43: 4 0 4 4 3 0 3 4 7612.4640 0.0026 0.003 44: 4 0 4 3 3 0 3 3 7615.6930 0.0057 0.003 ! 45: 4 2 3 5 3 2 2 4 9312.3170 -0.0023 0.003 46: 4 2 3 4 3 2 2 3 9312.8950 -0.0048 0.003 47: 4 2 3 6 3 2 2 5 9313.9680 -0.0020 0.003 48: 4 2 3 3 3 2 2 2 9314.5400 -0.0045 0.003 ! 49/ 4 2 2 3 3 2 1 2 11174.3310 -0.0104 0.003 50: 4 2 2 6 3 2 1 5 11175.2870 0.0006 0.003 51: 4 2 2 4 3 2 1 3 11176.3560 0.0011 0.003 52: 4 2 2 5 3 2 1 4 11177.2890 0.0007 0.003 ! 53: 4 4 0 3 3 2 1 2 14702.2150 0.0061 0.003 54: 4 4 0 6 3 2 1 5 14705.1080 0.0020 0.003 55: 4 4 0 4 3 2 1 3 14709.7980 -0.0021 0.003 56: 4 4 0 5 3 2 1 4 14712.6940 -0.0059 0.003 ! 57: 5 0 5 5 4 0 4 4 9298.5120 -0.0008 0.003 58: 5 0 5 6 4 0 4 5 9298.7880 -0.0018 0.003 59: 5 0 5 4 4 0 4 3 9298.8860 -0.0004 0.003 60: 5 0 5 7 4 0 4 6 9299.1630 -0.0007 0.003 ! ! Unknown problem with this transition and an attempt to reassign ! 61: 5 2 3 6 4 2 2 5 12749.3440 0.0323 90.003 62: 5 2 3 5 4 2 2 4 12749.3440 0.0037 0.003 63: 5 2 3 5 4 2 2 4 12749.3920 0.0517 90.003 64/ 5 2 3 7 4 2 2 6 12749.4380 0.0106 0.003 ! 65: 5 4 2 6 4 4 1 5 14100.8380 -0.0071 0.003 66: 5 4 2 5 4 4 1 4 14103.1570 -0.0046 0.003 67: 5 4 2 7 4 4 1 6 14106.9480 0.0004 0.003 68: 5 4 2 4 4 4 1 3 14109.2680 0.0012 0.003 ! 69: 5 4 1 6 4 4 0 5 15617.6250 0.0007 0.003 70: 5 4 1 5 4 4 0 4 15619.8540 -0.0001 0.003 71: 5 4 1 4 4 4 0 3 15626.3920 0.0032 0.003 -------------------------------------------------------------------------------- PARAMETERS IN FIT (values truncated and Nlines statistics): 10000 A /MHz 1733.83583(49) 1 20000 B /MHz 1667.94049(25) 2 30000 C /MHz 844.44517(22) 3 200 DJ /kHz 10.9931(63) 4 1100 DJK /kHz -3.776(24) 5 2000 DK /kHz 22.905(36) 6 40100 delJ /kHz 4.5186(29) 7 41000 delK /kHz 8.954(13) 8 110010000 X.aa*3/2 /MHz -42.1858(47) 9 110040000 X(b-c)/4 /MHz -0.7914(13) 10 110610000 Xab /MHz [ 0.] 11 MICROWAVE AVG = 0.001246 MHz, IR AVG = 0.00000 MICROWAVE RMS = 0.008064 MHz, IR RMS = 0.00000 END OF ITERATION 1 OLD, NEW RMS ERROR= 1.14524 1.14524 distinct frequency lines in fit: 69 distinct parameters of fit: 10 upper state lower state overall limits of quantum number 1: 1 5 0 4 0 5 limits of quantum number 2: 0 4 0 4 0 4 limits of quantum number 3: 0 5 0 4 0 5 limits of quantum number 4: 1 7 1 6 1 7 frequency range: 2506 15626 PARAMETERS IN FIT WITH STANDARD ERRORS ON THOSE THAT ARE FITTED: (values rounded and degrees of freedom, Ndegf=Nlines-Nconst, statistics) 10000 A /MHz 1733.83583(60) 1 20000 B /MHz 1667.94049(31) 2 30000 C /MHz 844.44517(28) 3 200 DJ /kHz 10.9931(78) 4 1100 DJK /kHz -3.777(30) 5 2000 DK /kHz 22.905(44) 6 40100 delJ /kHz 4.5186(36) 7 41000 delK /kHz 8.954(17) 8 110010000 X.aa*3/2 /MHz -42.1858(58) 9 110040000 X(b-c)/4 /MHz -0.7914(16) 10 110610000 Xab /MHz [ 0.] 11 CORRELATION COEFFICIENTS, C.ij: A B C -DJ -DJK -DK -delJ -delK A 1.0000 B -0.5088 1.0000 C 0.1822 0.1284 1.0000 -DJ 0.2249 -0.6723 -0.5295 1.0000 -DJK -0.1445 0.2587 0.0195 -0.6917 1.0000 -DK -0.7279 0.3876 -0.0284 0.1158 -0.5122 1.0000 -delJ 0.4732 -0.6175 0.2880 0.3728 -0.3405 -0.1971 1.0000 -delK -0.0398 -0.0337 0.3508 -0.0406 -0.2613 0.2455 -0.2902 1.0000 X.aa*3/2 -0.0063 0.0217 -0.0332 -0.0307 0.0595 -0.0397 -0.0521 -0.0168 X(b-c)/4 0.0799 -0.1371 0.0060 0.0783 -0.0267 -0.0591 0.1039 -0.0104 X.aa*3/2 X(b-c)/4 X.aa*3/2 1.0000 X(b-c)/4 -0.2327 1.0000 Mean value of |C.ij|, i.ne.j = 0.2151 Mean value of C.ij, i.ne.j = -0.0641 No correlations with absolute value greater than 0.9950 Worst fitted lines (obs-calc/error): 64: 3.5 49: -3.5 32: 2.6 65: -2.4 29: -2.2 53: 2.0 56: -2.0 44: 1.9 46: -1.6 13: -1.6 66: -1.5 48: -1.5 11: -1.4 22: -1.3 62: 1.2 23: 1.2 31: -1.2 14: 1.2 5: 1.1 38: -1.1 71: 1.1 26: 1.0 10: 1.0 37: 0.9 21: 0.9 42: 0.9 12: 0.9 43: 0.9 33: 0.8 45: -0.8 9: 0.7 55: -0.7 34: 0.7 54: 0.7 47: -0.7 25: -0.6 24: 0.6 17: -0.6 19: -0.6 58: -0.6 36: 0.5 6: 0.5 4: -0.5 15: -0.5 41: 0.5 8: -0.5 68: 0.4 51: 0.4 7: -0.4 40: 0.4 64/ 5 2 3 7 4 2 2 6 12749.4380 0.0106 0.003 49/ 4 2 2 3 3 2 1 2 11174.3310 -0.0104 0.003 32: 3 2 1 2 2 0 2 2 12582.2640 0.0077 0.003 65: 5 4 2 6 4 4 1 5 14100.8380 -0.0071 0.003 29: 3 2 1 4 2 0 2 4 12578.0690 -0.0067 0.003 53: 4 4 0 3 3 2 1 2 14702.2150 0.0061 0.003 56: 4 4 0 5 3 2 1 4 14712.6940 -0.0059 0.003 44: 4 0 4 3 3 0 3 3 7615.6930 0.0057 0.003 46: 4 2 3 4 3 2 2 3 9312.8950 -0.0048 0.003 13: 2 2 0 3 1 0 1 2 7704.6060 -0.0047 0.003 _____________________________________ __________________________________________/ SPFIT output reformatted with PIFORM