freon133a: 13C2 Fri Feb 03 12:51:15 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 7113.2798 0.0002 0.005 2: 1 1 1 3 0 0 0 2 7114.3561 0.0093 0.005 ! 3: 2 1 2 1 1 0 1 1 10675.7406 0.0051 0.005 4: 2 1 2 2 1 0 1 1 10665.6368 -0.0007 0.005 5: 2 1 2 2 1 0 1 2 10686.3171 0.0013 0.005 6: 2 1 2 3 1 0 1 2 10679.0816 -0.0005 0.005 7: 2 1 2 4 1 0 1 3 10677.6599 0.0017 0.005 ! 8: 2 2 0 1 1 1 1 1 17789.9571 -0.0008 0.005 9: 2 2 0 3 1 1 1 2 17807.0717 -0.0032 0.005 10: 2 2 0 4 1 1 1 3 17796.8680 -0.0019 0.005 ! 11: 2 2 0 2 2 1 1 1 10598.7721 0.0059 0.005 12: 2 2 0 2 2 1 1 2 10600.1742 -0.0009 0.005 13: 2 2 0 3 2 1 1 3 10609.6858 -0.0010 0.005 14: 2 2 0 3 2 1 1 4 10608.3089 -0.0021 0.005 15: 2 2 0 4 2 1 1 3 10598.0637 0.0027 0.005 16: 2 2 0 4 2 1 1 4 10596.6833 -0.0018 0.005 ! 17: 2 2 1 1 1 1 0 1 17780.0452 -0.0033 0.005 18: 2 2 1 1 1 1 0 2 17761.8593 0.0029 0.005 19: 2 2 1 2 1 1 0 1 17790.5365 -0.0018 0.005 20: 2 2 1 3 1 1 0 2 17781.1363 -0.0049 0.005 21: 2 2 1 3 1 1 0 3 17791.2271 -0.0039 0.005 22: 2 2 1 4 1 1 0 3 17779.4488 -0.0013 0.005 ! 23: 2 2 1 2 2 1 2 3 10662.6892 0.0001 0.005 24: 2 2 1 3 2 1 2 3 10671.4836 -0.0003 0.005 ! 25: 3 0 3 3 2 0 2 2 10740.6802 0.0010 0.005 26: 3 0 3 5 2 0 2 4 10743.5834 0.0002 0.005 ! 27: 3 0 3 2 2 1 2 1 7227.2571 0.0016 0.005 28: 3 0 3 3 2 1 2 2 7225.7923 0.0006 0.005 29: 3 0 3 4 2 1 2 3 7227.6274 0.0033 0.005 30: 3 0 3 5 2 1 2 4 7229.0732 0.0041 0.005 ! 31: 3 1 2 2 2 1 1 3 10776.0595 0.0055 0.005 32: 3 1 2 3 2 1 1 2 10770.4910 -0.0024 0.005 33: 3 1 2 4 2 1 1 3 10769.5881 -0.0038 0.005 ! 34: 3 1 3 2 2 0 2 1 14230.0159 0.0022 0.005 35: 3 1 3 2 2 0 2 2 14241.5207 0.0028 0.005 36: 3 1 3 3 2 0 2 2 14227.9654 -0.0016 0.005 37: 3 1 3 3 2 0 2 3 14236.2317 -0.0002 0.005 38: 3 1 3 4 2 0 2 3 14230.4273 -0.0021 0.005 39: 3 1 3 4 2 0 2 4 14218.9306 -0.0025 0.005 40: 3 1 3 5 2 0 2 4 14231.2368 0.0000 0.005 ! 41: 3 1 3 4 2 1 2 3 10714.5100 -0.0005 0.005 42: 3 1 3 4 2 1 2 4 10704.4123 -0.0066 0.005 ! 43: 3 2 1 3 3 1 2 2 10569.0545 -0.0047 0.005 44: 3 2 1 3 3 1 2 3 10573.6252 0.0021 0.005 45: 3 2 1 5 3 1 2 5 10571.4487 0.0048 0.005 ! 46: 3 2 2 4 3 1 3 4 10692.4047 0.0008 0.005 47: 3 2 2 5 3 1 3 5 10680.0618 0.0069 0.005 ! 48: 3 3 0 5 3 2 1 5 17709.0322 -0.0073 0.005 ! 49: 3 3 1 4 3 2 2 4 17723.7546 -0.0013 0.005 ! 50: 4 0 4 4 3 0 3 3 14322.6455 -0.0047 0.005 51: 4 0 4 6 3 0 3 5 14324.0086 -0.0125 0.005 ! 52: 4 0 4 3 3 1 3 2 10833.4584 0.0011 0.005 53: 4 0 4 4 3 1 3 3 10835.3609 -0.0015 0.005 54: 4 0 4 4 3 1 3 4 10841.1624 -0.0025 0.005 55: 4 0 4 5 3 1 3 4 10837.1155 -0.0007 0.005 56: 4 0 4 6 3 1 3 5 10836.3659 -0.0016 0.005 ! 57: 4 1 3 3 3 1 2 2 14361.6111 0.0026 0.005 ! 58: 4 1 4 3 3 0 3 2 17774.9662 0.0039 0.005 59: 4 1 4 4 3 0 3 3 17772.3603 -0.0021 0.005 60: 4 1 4 5 3 0 3 4 17772.8006 -0.0016 0.005 61: 4 1 4 6 3 0 3 5 17775.3897 -0.0017 0.005 ! 62: 4 1 4 3 3 1 3 2 14285.6868 0.0015 0.005 63: 4 1 4 4 3 1 3 3 14285.0802 0.0055 0.005 64: 4 1 4 5 3 1 3 4 14285.9197 0.0038 0.005 65: 4 1 4 6 3 1 3 5 14287.7372 -0.0006 0.005 ! 66: 4 2 2 5 3 2 1 4 14322.0677 -0.0026 0.005 67: 4 2 2 6 3 2 1 5 14326.6527 0.0082 0.005 ! 68: 4 2 2 4 4 1 3 4 10536.6144 0.0031 0.005 69: 4 2 2 5 4 1 3 5 10536.9311 0.0043 0.005 70: 4 2 2 6 4 1 3 6 10536.0164 0.0024 0.005 ! 71: 4 2 3 6 3 2 2 5 14325.9583 0.0030 0.005 ! 72: 4 2 3 4 4 1 4 4 10724.4516 0.0002 0.005 73: 4 2 3 5 4 1 4 5 10727.8032 0.0008 0.005 74: 4 2 3 6 4 1 4 6 10718.2733 0.0009 0.005 ! 75: 4 3 1 5 4 2 2 5 17718.5617 -0.0004 0.005 ! 76: 4 3 2 6 4 2 3 6 17710.8849 0.0033 0.005 ! 77: 5 0 5 7 4 0 4 6 17904.2310 0.0006 0.005 ! 78: 5 0 5 4 4 1 4 3 14451.1730 -0.0021 0.005 79: 5 0 5 5 4 1 4 4 14453.6676 -0.0024 0.005 80: 5 0 5 6 4 1 4 5 14455.3420 -0.0012 0.005 81: 5 0 5 7 4 1 4 6 14452.8593 -0.0007 0.005 ! 82: 5 1 4 7 4 2 3 6 7417.1054 -0.0022 0.005 ! 83: 5 1 5 7 4 1 4 6 17858.9874 -0.0006 0.005 ! 84: 5 2 3 4 5 1 4 4 10492.0943 0.0027 0.005 85: 5 2 3 6 5 1 4 6 10491.0667 0.0079 0.005 86: 5 2 3 7 5 1 4 7 10491.5631 0.0022 0.005 ! 87: 5 2 4 4 5 1 5 4 10763.5721 0.0035 0.005 88: 5 2 4 5 5 1 5 4 10756.3407 0.0006 0.005 89: 5 2 4 5 5 1 5 5 10771.0806 -0.0015 0.005 90: 5 2 4 6 5 1 5 6 10773.4937 -0.0032 0.005 ! 91: 6 0 6 5 5 1 5 4 18076.5600 -0.0052 0.005 ! 92: 6 1 5 8 5 2 4 7 11052.9735 0.0123 0.005 ! 93: 6 2 4 7 6 1 5 7 10437.0910 -0.0051 0.005 94: 6 2 4 8 6 1 5 8 10438.7295 0.0018 0.005 ! 95: 7 1 6 7 6 2 5 6 14699.2265 0.0049 0.005 96: 7 1 6 8 6 2 5 7 14699.8149 -0.0019 0.005 ! 97: 7 2 6 6 7 1 7 6 10886.2718 0.0006 0.005 -------------------------------------------------------------------------------- PARAMETERS IN FIT (values truncated and Nlines statistics): 10000 A /MHz 5333.39146(24) 1 20000 B /MHz 1799.883355(95) 2 30000 C /MHz 1781.23154(11) 3 200 DJ /kHz [ 0.2778] 4 1100 DJK /kHz [ 2.7063] 5 2000 DK /kHz [-1.6073] 6 40100 deltaJ /kHz [ 0.00005067] 7 41000 deltaK /kHz [ 0.436] 8 110010000 chi.aa*3/2 /MHz -68.9701(77) 9 110040000 chi(b-c)/4 /MHz -8.7104(19) 10 110610000 chi.ab /MHz 52.159(40) 11 MICROWAVE AVG = 0.000275 MHz, IR AVG = 0.00000 MICROWAVE RMS = 0.003699 MHz, IR RMS = 0.00000 END OF ITERATION 1 OLD, NEW RMS ERROR= 0.73984 0.73984 distinct frequency lines in fit: 97 distinct parameters of fit: 6 upper state lower state overall limits of quantum number 1: 1 7 0 7 0 7 limits of quantum number 2: 0 3 0 2 0 3 limits of quantum number 3: 0 6 0 7 0 7 limits of quantum number 4: 1 8 1 8 1 8 frequency range: 7113 18076 PARAMETERS IN FIT WITH STANDARD ERRORS ON THOSE THAT ARE FITTED: (values rounded and degrees of freedom, Ndegf=Nlines-Nconst, statistics) 10000 A /MHz 5333.39146(18) 1 20000 B /MHz 1799.883355(72) 2 30000 C /MHz 1781.231543(90) 3 200 DJ /kHz [ 0.2778] 4 1100 DJK /kHz [ 2.7063] 5 2000 DK /kHz [-1.6073] 6 40100 deltaJ /kHz [ 0.00005067] 7 41000 deltaK /kHz [ 0.436] 8 110010000 chi.aa*3/2 /MHz -68.9701(58) 9 110040000 chi(b-c)/4 /MHz -8.7104(14) 10 110610000 chi.ab /MHz 52.159(30) 11 CORRELATION COEFFICIENTS, C.ij: A B C chi.aa*3 chi(b-c) chi.ab A 1.0000 B 0.4265 1.0000 C 0.1658 0.3517 1.0000 chi.aa*3/2 0.0029 -0.0365 -0.0304 1.0000 chi(b-c)/4 0.0283 -0.0572 -0.0011 0.0910 1.0000 chi.ab 0.1536 0.1396 -0.0312 -0.1581 -0.2116 1.0000 Mean value of |C.ij|, i.ne.j = 0.1257 Mean value of C.ij, i.ne.j = 0.0555 No correlations with absolute value greater than 0.9950 Worst fitted lines (obs-calc/error): 51: -2.5 92: 2.5 2: 1.9 67: 1.6 85: 1.6 48: -1.5 47: 1.4 42: -1.3 11: 1.2 31: 1.1 63: 1.1 91: -1.0 93: -1.0 3: 1.0 95: 1.0 20: -1.0 45: 1.0 43: -0.9 50: -0.9 69: 0.9 30: 0.8 21: -0.8 58: 0.8 64: 0.8 33: -0.8 87: 0.7 76: 0.7 17: -0.7 29: 0.7 9: -0.6 90: -0.6 68: 0.6 71: 0.6 18: 0.6 35: 0.6 84: 0.5 15: 0.5 66: -0.5 57: 0.5 39: -0.5 54: -0.5 32: -0.5 79: -0.5 70: 0.5 34: 0.4 82: -0.4 86: 0.4 59: -0.4 44: 0.4 38: -0.4 51: 4 0 4 6 3 0 3 5 14324.0086 -0.0125 0.005 92: 6 1 5 8 5 2 4 7 11052.9735 0.0123 0.005 2: 1 1 1 3 0 0 0 2 7114.3561 0.0093 0.005 67: 4 2 2 6 3 2 1 5 14326.6527 0.0082 0.005 85: 5 2 3 6 5 1 4 6 10491.0667 0.0079 0.005 48: 3 3 0 5 3 2 1 5 17709.0322 -0.0073 0.005 47: 3 2 2 5 3 1 3 5 10680.0618 0.0069 0.005 42: 3 1 3 4 2 1 2 4 10704.4123 -0.0066 0.005 11: 2 2 0 2 2 1 1 1 10598.7721 0.0059 0.005 31: 3 1 2 2 2 1 1 3 10776.0595 0.0055 0.005 _____________________________________ __________________________________________/ SPFIT output reformatted with PIFORM