37ClH...14N 14N, I,I1,F coupling Wed Jun 01 08:01:34 2011 -------------------------------------------------------------------------------------========= obs o-c error blends Notes o-c wt / instead of : below denotes (o-c)>3*err -------------------------------------------------------------------------------------========= 1: 1 2 2 4 0 2 2 4 3403.3099 0.0003 0.002 2: 1 2 1 3 0 2 1 3 3403.9211 0.0000 0.002 3: 1 3 1 4 0 2 1 3 3413.0478 0.0001 0.002 4: 1 3 2 4 0 2 2 3 3412.6119 0.0021 0.002 5: 1 3 2 3 0 2 2 2 3411.9516 -0.0014 0.002 6: 1 3 2 5 0 2 2 4 3413.7299 0.0030 0.002 7: 1 3 0 3 0 2 2 3 3413.9240 0.0009 0.002 -0.0023 0.35 8: 1 3 0 3 0 2 0 2 3413.9240 -0.0040 0.002 -0.0023 0.65 9: 1 1 1 2 0 2 1 3 3421.0409 -0.0008 0.002 10: 1 1 2 3 0 2 2 4 3421.3065 0.0002 0.002 ! 11: 2 2 2 4 1 1 2 3 6812.6310 -0.0017 0.002 12: 2 3 2 5 1 3 2 5 6813.5756 0.0026 0.002 13: 2 3 1 2 1 3 1 2 6814.0726 0.0033 0.002 14: 2 3 2 3 1 3 2 3 6814.3176 0.0006 0.002 15: 2 3 2 5 1 3 2 4 6814.6878 0.0007 0.002 16: 2 3 2 3 1 3 2 3 6814.3165 -0.0004 0.002 17: 2 4 1 3 1 1 1 2 6815.0710 0.0005 0.002 18: 2 4 2 3 1 1 2 3 6815.7803 0.0027 0.002 19: 2 4 0 4 1 1 2 3 6816.4988 0.0026 0.002 20: 2 4 2 2 1 1 0 1 6816.7089 0.0039 0.002 21: 2 2 1 3 1 3 1 2 6821.2485 -0.0039 0.002 22: 2 2 2 4 1 3 2 4 6821.3282 0.0018 0.002 23: 2 3 2 3 1 2 2 2 6821.7970 0.0005 0.002 24: 2 3 2 4 1 2 2 3 6822.0899 -0.0016 0.002 25: 2 1 2 2 1 1 2 3 6822.3653 -0.0010 0.002 26: 2 4 2 4 1 3 2 3 6822.9700 0.0000 0.002 27: 2 4 2 3 1 3 2 2 6822.9978 0.0025 0.002 28: 2 3 1 4 1 2 1 3 6823.0795 -0.0021 0.002 29: 2 4 2 5 1 3 2 4 6823.2249 0.0024 0.002 30: 2 4 1 5 1 3 1 4 6823.2663 -0.0023 0.002 31: 2 4 1 3 1 3 1 2 6823.4909 -0.0020 0.002 32: 2 4 0 4 1 3 0 3 6823.8726 -0.0038 0.002 33: 2 3 2 5 1 2 2 4 6823.9924 0.0021 0.002 34: 2 3 1 3 1 2 1 2 6824.4945 -0.0033 0.002 35: 2 3 0 3 1 2 0 2 6824.7492 0.0009 0.002 36: 2 4 2 3 1 3 2 3 6825.1268 -0.0006 0.002 37: 2 2 2 4 1 2 2 3 6829.4684 0.0012 0.002 38: 2 2 1 3 1 2 1 3 6829.9501 -0.0004 0.002 39: 2 2 2 4 1 2 2 4 6830.6301 0.0006 0.002 40: 2 2 2 3 1 2 2 4 6830.7693 -0.0021 0.002 41: 2 2 1 1 1 2 1 2 6830.8912 0.0017 0.002 42: 2 1 1 2 1 2 1 3 6839.5393 -0.0005 0.002 43: 2 1 2 3 1 2 2 4 6840.1944 0.0017 0.002 ! 44: 3 4 2 6 2 4 2 6 10224.1087 -0.0010 0.002 45: 3 4 2 5 2 4 2 5 10224.2644 -0.0017 0.002 46: 3 4 1 5 2 4 1 5 10224.3550 -0.0038 0.002 47: 3 4 0 4 2 2 2 4 10227.5633 0.0007 0.002 48: 3 2 1 3 2 1 1 2 10231.2584 -0.0030 0.002 49: 3 3 1 4 2 2 1 3 10231.3718 -0.0028 0.002 50: 3 2 2 4 2 1 2 3 10231.7929 0.0012 0.002 51: 3 3 2 5 2 2 2 4 10231.8856 0.0015 0.002 52: 3 3 1 3 2 2 1 2 10231.9834 -0.0026 0.002 53: 3 3 0 3 2 2 2 2 10232.3174 -0.0005 0.002 54: 3 3 2 1 2 2 2 1 10232.4784 -0.0006 0.002 55: 3 2 2 1 2 1 2 2 10232.5193 0.0017 0.002 56: 3 5 2 5 2 4 2 5 10232.6774 -0.0010 0.002 57: 3 4 2 5 2 3 2 5 10232.8013 -0.0002 0.002 58: 3 4 2 4 2 3 2 3 10233.1752 0.0001 0.002 59: 3 5 1 5 2 4 1 4 10233.8705 -0.0030 0.002 60: 3 5 2 7 2 4 2 6 10233.9108 0.0029 0.002 61: 3 4 2 6 2 3 2 5 10234.0988 0.0028 0.002 62: 3 4 0 4 2 3 0 3 10234.1515 0.0021 0.002 0.0002 0.50 63: 3 4 1 4 2 3 1 3 10234.1515 -0.0018 0.002 0.0002 0.50 64: 3 5 1 5 2 4 1 5 10235.1415 -0.0016 0.002 65: 3 3 1 4 2 3 1 4 10238.2416 -0.0019 0.002 66: 3 2 2 4 2 2 2 4 10241.3576 0.0027 0.002 67: 3 2 2 4 2 2 2 3 10241.2166 0.0036 0.002 68: 3 2 1 3 2 2 1 3 10240.8482 -0.0025 0.002 ! 69: 4 4 2 4 3 3 2 3 13642.2642 0.0003 0.002 70: 4 4 2 6 3 3 2 5 13642.9580 0.0016 0.002 0.0026 0.55 71: 4 3 2 5 3 2 2 4 13642.9580 0.0038 0.002 0.0026 0.45 72: 4 4 1 4 3 3 0 3 13643.0209 0.0067 0.002 0.0015 0.37 73: 4 4 0 4 3 3 0 3 13643.0209 -0.0015 0.002 0.0015 0.63 74: 4 3 1 2 3 2 1 1 13642.8502 -0.0039 0.002 75: 4 5 2 5 3 4 2 4 13643.5642 -0.0011 0.002 76: 4 6 2 5 3 5 2 4 13643.7075 0.0022 0.002 77: 4 3 2 3 3 2 2 2 13642.1087 0.0011 0.002 -------------------------------------------------------------------------------- PARAMETERS IN FIT: 100 B /MHz 1705.70095(10) 1 200 DJ /kHz 7.9528(52) 2 110010000 Cl:X_a*3/2 /MHz -56.9828(24) 3 220010000 N1:X_a*3/2 /MHz -6.627(22) 4 330010000 N2:X_a*3/2 /MHz -6.955(22) 5 MICROWAVE AVG = 0.000032 MHz, IR AVG = 0.00000 MICROWAVE RMS = 0.002082 MHz, IR RMS = 0.00000 END OF ITERATION 1 OLD, NEW RMS ERROR= 1.04100 1.04100 distinct frequency lines in fit: 73 distinct parameters of fit: 5 for standard parameter errors previous errors are multiplied by: 1.078593 PARAMETERS IN FIT WITH STANDARD ERRORS ON THOSE THAT ARE FITTED: 100 B /MHz 1705.70095(11) 1 200 DJ /kHz 7.9528(56) 2 110010000 Cl:X_a*3/2 /MHz -56.9828(26) 3 220010000 N1:X_a*3/2 /MHz -6.627(24) 4 330010000 N2:X_a*3/2 /MHz -6.955(24) 5 CORRELATION COEFFICIENTS, C.ij: B -DJ Cl:X_a*3 N1:X_a*3 N2:X_a*3 B 1.0000 -DJ -0.8990 1.0000 Cl:X_a*3/2 -0.0114 -0.0224 1.0000 N1:X_a*3/2 0.0068 -0.0053 0.0839 1.0000 N2:X_a*3/2 0.0352 -0.0248 -0.1150 -0.9754 1.0000 Mean value of |C.ij|, i.ne.j = 0.2179 Mean value of C.ij, i.ne.j = -0.1927 Worst fitting lines (obs-calc/error): 74: -1.9 21: -1.9 20: 1.9 46: -1.9 32: -1.9 67: 1.8 34: -1.6 13: 1.6 6: 1.5 59: -1.5 48: -1.5 60: 1.4 61: 1.4 49: -1.4 18: 1.4 66: 1.4 70: 1.3 52: -1.3 12: 1.3 19: 1.3 27: 1.2 68: -1.2 29: 1.2 30: -1.1 7: -1.1 76: 1.1 40: -1.0 4: 1.0 28: -1.0 33: 1.0 31: -1.0 65: -0.9 22: 0.9 41: 0.8 43: 0.8 55: 0.8 11: -0.8 45: -0.8 64: -0.8 24: -0.8 72: 0.8 51: 0.8 5: -0.7 50: 0.6 37: 0.6 77: 0.6 75: -0.6 44: -0.5 56: -0.5 25: -0.5 74: 4 3 1 2 3 2 1 1 13642.8502 -0.0039 0.002 21: 2 2 1 3 1 3 1 2 6821.2485 -0.0039 0.002 20: 2 4 2 2 1 1 0 1 6816.7089 0.0039 0.002 46: 3 4 1 5 2 4 1 5 10224.3550 -0.0038 0.002 32: 2 4 0 4 1 3 0 3 6823.8726 -0.0038 0.002 67: 3 2 2 4 2 2 2 3 10241.2166 0.0036 0.002 34: 2 3 1 3 1 2 1 2 6824.4945 -0.0033 0.002 13: 2 3 1 2 1 3 1 2 6814.0726 0.0033 0.002 6: 1 3 2 5 0 2 2 4 3413.7299 0.0030 0.002 59: 3 5 1 5 2 4 1 4 10233.8705 -0.0030 0.002 _____________________________________ __________________________________________/ SPFIT output reformatted with PIFORM