CF3CCl3, 3x37Cl: only cavity data Sat Aug 25 12:28:59 2018 -------------------------------------------------------------------------------------========= obs o-c error blends Notes o-c wt / instead of : below denotes (o-c)>3*err -------------------------------------------------------------------------------------========= ! ! IFPAN cavity spectrometer: individual line measurements ! 1: 3 1 5 5 4 2 1 3 2 3 6469.5913 -0.0013 0.002 2: 3 1 3 4 5 2 -1 2 3 4 6469.7893 -0.0003 0.002 3: 3 -1 4 5 5 2 -1 1 2 4 6471.4090 0.0025 0.002 4: 3 0 4 5 7 2 0 3 4 6 6471.5313 0.0006 0.002 5: 3 -1 5 6 8 2 1 4 5 7 6471.6088 0.0005 0.002 6: 3 1 4 4 6 2 -1 2 3 5 6472.2407 -0.0002 0.002 7: 3 0 4 2 4 2 0 3 1 3 6472.4730 0.0006 0.002 8: 3 0 5 6 8 2 0 4 5 7 6472.5741 -0.0030 0.002 9: 3 0 4 5 5 2 0 3 4 4 6472.6549 0.0003 0.002 10: 3 1 4 5 7 2 -1 3 4 6 6472.7437 0.0012 0.002 11: 3 1 4 5 5 2 -1 3 4 4 6472.8740 0.0033 0.002 12: 3 -1 2 3 4 2 1 1 2 3 6472.9251 -0.0027 0.002 13: 3 1 3 4 6 2 -1 3 3 5 6473.0213 0.0027 0.002 14: 3 -1 4 4 6 2 1 3 3 5 6474.5003 -0.0009 0.002 15: 3 0 4 4 5 2 0 3 3 4 6474.6474 0.0001 0.002 16: 3 -1 3 4 6 2 1 2 3 5 6475.1873 0.0001 0.002 17: 3 -1 5 5 6 2 1 4 4 5 6475.2552 0.0018 0.002 18: 3 -1 4 3 5 2 1 3 2 4 6475.2983 -0.0025 0.002 19: 3 0 3 3 5 2 0 2 2 4 6476.1361 -0.0024 0.002 20: 3 1 3 3 3 2 -1 4 3 2 6476.2469 -0.0038 0.002 21: 3 0 4 5 4 2 0 2 2 3 6476.2913 -0.0015 0.002 22: 3 -1 3 4 4 2 1 2 3 3 6476.3730 -0.0010 0.002 ! 23: 4 3 6 4 6 3 -3 2 3 5 8624.7473 0.0010 0.002 24: 4 -3 6 7 6 3 3 5 6 5 8624.7971 0.0026 0.002 25: 4 3 6 7 9 3 -3 5 6 8 8626.4086 0.0023 0.002 26: 4 -3 6 7 7 3 3 5 6 6 8628.7002 0.0003 0.002 27: 4 2 6 7 9 3 -2 5 6 8 8628.7547 0.0009 0.002 28: 4 -3 4 5 4 3 3 3 4 3 8629.1641 0.0007 0.002 0.0031 0.50 29: 4 3 4 5 4 3 -3 3 4 3 8629.1641 0.0053 0.002 0.0031 0.50 30: 4 -1 6 4 5 3 1 4 5 4 8629.9369 -0.0045 0.002 31: 4 0 5 6 8 3 0 4 5 7 8629.9655 -0.0007 0.002 32: 4 0 5 6 8 3 0 4 5 7 8629.9661 -0.0001 0.002 33: 4 1 6 7 9 3 -1 5 6 8 8630.1586 -0.0023 0.002 -0.0023 0.50 34: 4 1 6 7 9 3 -1 5 6 8 8630.1586 -0.0023 0.002 -0.0023 0.50 35: 4 1 6 6 6 3 -1 5 5 5 8630.5152 0.0032 0.002 36: 4 0 5 5 7 3 0 4 4 6 8630.5734 0.0012 0.002 37: 4 0 6 5 7 3 0 5 4 6 8631.2030 0.0033 0.002 38: 4 -1 6 4 4 3 1 3 3 3 8632.8821 0.0016 0.002 0.0014 0.41 39: 4 3 4 4 6 3 -3 3 3 5 8632.8821 0.0011 0.002 0.0014 0.59 40: 4 1 4 4 6 3 -1 3 3 5 8633.0883 -0.0001 0.002 41: 4 3 5 4 6 3 -3 4 3 5 8636.1393 0.0024 0.002 0.0028 0.25 42: 4 -3 5 4 6 3 3 4 3 5 8636.1393 0.0032 0.002 0.0028 0.25 43: 4 3 5 6 6 3 -3 4 5 5 8636.1393 0.0024 0.002 0.0028 0.25 44: 4 -3 5 6 6 3 3 4 5 5 8636.1393 0.0032 0.002 0.0028 0.25 ! 45: 5 4 7 5 6 4 -4 6 4 5 10785.3600 -0.0053 0.002 -0.0042 0.50 46: 5 4 4 5 6 4 -4 3 4 5 10785.3600 -0.0031 0.002 -0.0042 0.50 47: 5 -3 4 5 7 4 3 3 4 6 10785.5798 -0.0046 0.002 -0.0027 0.33 48: 5 3 4 5 7 4 -3 3 4 6 10785.5798 -0.0046 0.002 -0.0027 0.33 49: 5 3 7 5 7 4 -3 6 4 6 10785.5798 0.0010 0.002 -0.0027 0.33 50: 5 3 7 8 10 4 -3 6 7 9 10786.1892 0.0009 0.002 51: 5 -3 4 3 5 4 3 3 2 4 10786.4238 -0.0025 0.002 52: 5 2 7 8 7 4 -2 6 7 6 10787.3200 -0.0051 0.002 53: 5 2 7 8 10 4 -2 6 7 9 10787.4997 -0.0001 0.002 54: 5 0 6 6 8 4 0 5 5 7 10788.3579 0.0034 0.002 55: 5 0 6 7 7 4 0 5 6 6 10788.5492 -0.0004 0.002 0.0000 0.28 56: 5 0 7 8 10 4 0 6 7 9 10788.5492 0.0005 0.002 0.0000 0.45 57: 5 0 5 5 7 4 0 5 4 6 10788.5492 -0.0004 0.002 0.0000 0.28 58: 5 3 6 7 9 4 -3 5 6 8 10789.9020 -0.0007 0.002 59: 5 -2 6 6 8 4 2 5 5 7 10790.0104 -0.0016 0.002 60: 5 1 6 6 7 4 -1 5 5 6 10790.0584 0.0018 0.002 61: 5 2 6 6 7 4 -2 5 5 6 10790.7848 -0.0025 0.002 62: 5 -3 6 6 6 4 3 5 5 5 10792.7187 0.0027 0.002 0.0032 0.50 63: 5 3 6 5 6 4 -3 5 4 5 10792.7187 0.0036 0.002 0.0032 0.50 64: 5 -4 6 7 7 4 4 5 6 6 10793.0218 0.0121 0.002 0.0043 0.50 65: 5 -4 6 5 7 4 -4 5 4 6 10793.0218 -0.0036 0.002 0.0043 0.50 66: 5 -3 6 6 7 4 3 5 5 6 10793.0520 -0.0020 0.002 -------------------------------------------------------------------------------- PARAMETERS IN FIT (values truncated and Nlines statistics): 10000 A /MHz [1270.59] 1 20000 B /MHz 1078.891034(35) 2 -30000 C /MHz 1078.891034(35) = 1.00000 * 2 200 DJ /kHz [ 0.05309] 3 1100 DJK /kHz [ 0.0255] 4 2000 DK /kHz [-0.02848] 5 300 HJ /Hz [ 0.] 6 1200 HJK /Hz [ 0.] 7 2100 HKJ /Hz [ 0.] 8 3000 HK /Hz [ 0.] 9 60000 h3 /Hz [ 0.] 10 110010000 Cl:1.5Xaa /MHz 32.5742(38) 11 -220010000 . /MHz 32.5742(38) = 1.00000 * 11 -330010000 . /MHz 32.5742(38) = 1.00000 * 11 110040000 chi(b-c)/4 /MHz -21.9308(55) 12 -220040000 -1 /MHz 10.9653(27) = -0.50000 * 12 -330040000 -1 /MHz 10.9653(27) = -0.50000 * 12 -220210000 chi.bc /MHz 37.9852(95) = -1.73205 * 12 -330210000 . /MHz -37.9852(95) = 1.73205 * 12 110610000 chi.ab /MHz -29.59(11) 13 -220610000 -1 /MHz 14.797(57) = -0.50000 * 13 -330610000 -1 /MHz 14.797(57) = -0.50000 * 13 -220410000 chi.ac /MHz -25.63(10) = 0.86603 * 13 -330410000 -r3 /MHz 25.63(10) = -0.86603 * 13 10010000 M.aa {+IMJ /MHz [ 0.0006267] 14 -20010000 M.aa /MHz [ 0.0006267] = 1.00000 * 14 -30010000 M.aa /MHz [ 0.0006267] = 1.00000 * 14 -20020000 M.bb /MHz [ 0.] = 0.00000 * 14 -20030000 M.cc /MHz [ 0.] = 0.00000 * 14 -30020000 M.bb /MHz [ 0.] = 0.00000 * 14 -30030000 M.cc /MHz [ 0.] = 0.00000 * 14 10030000 M.cc {+IMJ /MHz [ 0.0005167] 15 -20020000 M.bb /MHz [ 0.0003875] = 0.74995 * 15 -30020000 M.bb /MHz [ 0.0003875] = 0.74995 * 15 -20030000 M.cc /MHz [ 0.0001292] = 0.25005 * 15 -30030000 M.cc /MHz [ 0.0001292] = 0.25005 * 15 MICROWAVE AVG = 0.000010 MHz, IR AVG = 0.00000 MICROWAVE RMS = 0.002305 MHz, IR RMS = 0.00000 END OF ITERATION 1 OLD, NEW RMS ERROR= 1.15225 1.15225 distinct frequency lines in fit: 53 distinct parameters of fit: 4 upper state lower state overall limits of quantum number 1: 3 5 2 4 2 5 limits of quantum number 2: -4 4 -4 4 -4 4 limits of quantum number 3: 2 7 1 6 1 7 limits of quantum number 4: 2 8 1 7 1 8 limits of quantum number 5: 3 10 2 9 2 10 frequency range: 6469 10793 PARAMETERS IN FIT WITH STANDARD ERRORS ON THOSE THAT ARE FITTED: (values rounded and degrees of freedom, Ndegf=Nlines-Nconst, statistics) 10000 A /MHz [1270.59] 1 20000 B /MHz 1078.891034(41) 2 -30000 C /MHz 1078.891034(41) = 1.00000 * 2 200 DJ /kHz [ 0.05309] 3 1100 DJK /kHz [ 0.0255] 4 2000 DK /kHz [-0.02848] 5 300 HJ /Hz [ 0.] 6 1200 HJK /Hz [ 0.] 7 2100 HKJ /Hz [ 0.] 8 3000 HK /Hz [ 0.] 9 60000 h3 /Hz [ 0.] 10 110010000 Cl:1.5Xaa /MHz 32.5742(45) 11 -220010000 . /MHz 32.5742(45) = 1.00000 * 11 -330010000 . /MHz 32.5742(45) = 1.00000 * 11 110040000 chi(b-c)/4 /MHz -21.9308(65) 12 -220040000 -1 /MHz 10.9654(32) = -0.50000 * 12 -330040000 -1 /MHz 10.9654(32) = -0.50000 * 12 -220210000 chi.bc /MHz 37.985(11) = -1.73205 * 12 -330210000 . /MHz -37.985(11) = 1.73205 * 12 110610000 chi.ab /MHz -29.60(13) 13 -220610000 -1 /MHz 14.798(69) = -0.50000 * 13 -330610000 -1 /MHz 14.798(69) = -0.50000 * 13 -220410000 chi.ac /MHz -25.63(12) = 0.86603 * 13 -330410000 -r3 /MHz 25.63(12) = -0.86603 * 13 10010000 M.aa {+IMJ /MHz [ 0.0006267] 14 -20010000 M.aa /MHz [ 0.0006267] = 1.00000 * 14 -30010000 M.aa /MHz [ 0.0006267] = 1.00000 * 14 -20020000 M.bb /MHz [ 0.] = 0.00000 * 14 -20030000 M.cc /MHz [ 0.] = 0.00000 * 14 -30020000 M.bb /MHz [ 0.] = 0.00000 * 14 -30030000 M.cc /MHz [ 0.] = 0.00000 * 14 10030000 M.cc {+IMJ /MHz [ 0.0005167] 15 -20020000 M.bb /MHz [ 0.0003875] = 0.74995 * 15 -30020000 M.bb /MHz [ 0.0003875] = 0.74995 * 15 -20030000 M.cc /MHz [ 0.0001292] = 0.25005 * 15 -30030000 M.cc /MHz [ 0.0001292] = 0.25005 * 15 CORRELATION COEFFICIENTS, C.ij: B Cl:1.5Xa chi(b-c) chi.ab B 1.0000 Cl:1.5Xaa 0.1108 1.0000 chi(b-c)/4 -0.0342 -0.1265 1.0000 chi.ab 0.1029 0.0033 0.5192 1.0000 Mean value of |C.ij|, i.ne.j = 0.1495 Mean value of C.ij, i.ne.j = 0.0959 No correlations with absolute value greater than 0.9950 Worst fitted lines (obs-calc/error): 52: -2.6 30: -2.2 64: 2.1 45: -2.1 20: -1.9 54: 1.7 11: 1.6 37: 1.6 35: 1.6 62: 1.6 28: 1.5 8: -1.5 41: 1.4 47: -1.4 12: -1.4 13: 1.4 24: 1.3 18: -1.2 51: -1.2 3: 1.2 61: -1.2 19: -1.2 33: -1.2 25: 1.1 66: -1.0 60: 0.9 17: 0.9 59: -0.8 21: -0.8 38: 0.7 1: -0.6 36: 0.6 10: 0.6 23: 0.5 22: -0.5 14: -0.4 50: 0.4 27: 0.4 58: -0.3 31: -0.3 4: 0.3 7: 0.3 5: 0.2 9: 0.1 2: -0.1 26: 0.1 6: -0.1 53: -0.1 16: 0.1 32: -0.1 52: 5 2 7 8 7 4 -2 6 7 6 10787.3200 -0.0051 0.002 30: 4 -1 6 4 5 3 1 4 5 4 8629.9369 -0.0045 0.002 64: 5 -4 6 7 7 4 4 5 6 6 10793.0218 0.0121 0.002 0.0043 0.50 45: 5 4 7 5 6 4 -4 6 4 5 10785.3600 -0.0053 0.002 -0.0042 0.50 20: 3 1 3 3 3 2 -1 4 3 2 6476.2469 -0.0038 0.002 54: 5 0 6 6 8 4 0 5 5 7 10788.3579 0.0034 0.002 11: 3 1 4 5 5 2 -1 3 4 4 6472.8740 0.0033 0.002 37: 4 0 6 5 7 3 0 5 4 6 8631.2030 0.0033 0.002 35: 4 1 6 6 6 3 -1 5 5 5 8630.5152 0.0032 0.002 62: 5 -3 6 6 6 4 3 5 5 5 10792.7187 0.0027 0.002 0.0032 0.50 _____________________________________ __________________________________________/ SPFIT output reformatted with PIFORM