t-butyl fluoride JMolSpec101(1983)229 Thu Oct 19 18:49:48 2017 -------------------------------------------------------------------------------------========= obs o-c error blends Notes o-c wt / instead of : below denotes (o-c)>3*err -------------------------------------------------------------------------------------========= 1: 1 0 0 0 9424.2931 0.0005 0.001 2: 10 0 9 0 94237.9300 -0.1248 0.100 3: 12 0 11 0 113083.0700 0.0020 0.100 4: 13 0 12 0 122504.9900 -0.0678 0.100 5: 16 0 15 0 150768.4600 -0.1469 0.100 -0.1222 0.33 6: 16 1 15 1 150768.4600 -0.1320 0.100 -0.1222 0.33 7: 16 2 15 2 150768.4600 -0.0876 0.100 -0.1222 0.33 8: 22 0 21 0 207282.1000 -0.0546 0.100 -0.0207 0.33 9: 22 1 21 1 207282.1000 -0.0343 0.100 -0.0207 0.33 10: 22 2 21 2 207282.1000 0.0267 0.100 -0.0207 0.33 11: 22 18 21 18 207275.5000 -0.0581 0.050 12: 22 19 21 19 207274.7800 -0.0248 0.050 13: 26 0 25 0 244945.3800 0.1225 0.100 0.1627 0.33 14: 26 1 25 1 244945.3800 0.1466 0.100 0.1627 0.33 15: 26 2 25 2 244945.3800 0.2188 0.100 0.1627 0.33 16: 26 11 25 11 244942.3400 -0.0060 0.050 17: 26 12 25 12 244941.8000 0.0074 0.050 18: 26 13 25 13 244941.1800 -0.0110 0.050 19: 26 14 25 14 244940.5400 -0.0014 0.050 20: 26 15 25 15 244939.8000 -0.0436 0.050 21: 26 16 25 16 244939.1100 0.0122 0.050 22: 26 17 25 17 244938.2900 -0.0137 0.050 23: 26 18 25 18 244937.4700 0.0084 0.050 24: 26 19 25 19 244936.5800 0.0087 0.050 25: 26 20 25 20 244935.6500 0.0170 0.050 26: 26 21 25 21 244934.6600 0.0136 0.050 27: 26 22 25 22 244933.6300 0.0182 0.050 28: 26 23 25 23 244932.5300 0.0010 0.050 29: 26 24 25 24 244931.4000 0.0018 0.050 30: 26 25 25 25 244930.2300 0.0108 0.050 -------------------------------------------------------------------------------- PARAMETERS IN FIT (values truncated and Nlines statistics): 10000 A /MHz 4712.14875(48) 1 -20000 B /MHz 4712.14875(48) = 1.00000 * 1 30000 C /MHz [4500.] 2 200 DJ /kHz 1.23005(55) 3 1100 DJK /kHz 0.4627(14) 4 MICROWAVE AVG = -0.009575 MHz, IR AVG = 0.00000 MICROWAVE RMS = 0.053839 MHz, IR RMS = 0.00000 END OF ITERATION 1 OLD, NEW RMS ERROR= 0.62857 0.62857 distinct frequency lines in fit: 24 distinct parameters of fit: 3 upper state lower state overall limits of quantum number 1: 1 26 0 25 0 26 limits of quantum number 2: 0 25 0 25 0 25 frequency range: 9424 244945 PARAMETERS IN FIT WITH STANDARD ERRORS ON THOSE THAT ARE FITTED: (values rounded and degrees of freedom, Ndegf=Nlines-Nconst, statistics) 10000 A /MHz 4712.14875(32) 1 -20000 B /MHz 4712.14875(32) = 1.00000 * 1 30000 C /MHz [4500.] 2 200 DJ /kHz 1.23005(36) 3 1100 DJK /kHz 0.46272(99) 4 CORRELATION COEFFICIENTS, C.ij: A -DJ -DJK A 1.0000 -DJ -0.6612 1.0000 -DJK -0.0074 -0.6727 1.0000 Mean value of |C.ij|, i.ne.j = 0.4471 Mean value of C.ij, i.ne.j = -0.4471 No correlations with absolute value greater than 0.9950 Worst fitted lines (obs-calc/error): 13: 1.6 2: -1.2 5: -1.2 11: -1.2 20: -0.9 4: -0.7 1: 0.5 12: -0.5 27: 0.4 25: 0.3 22: -0.3 26: 0.3 21: 0.2 18: -0.2 30: 0.2 8: -0.2 24: 0.2 23: 0.2 17: 0.1 16: -0.1 29: 0.0 19: 0.0 28: 0.0 3: 0.0 15: 0.0 14: 0.0 10: 0.0 9: 0.0 7: 0.0 6: 0.0 13: 26 0 25 0 244945.3800 0.1225 0.100 0.1627 0.33 2: 10 0 9 0 94237.9300 -0.1248 0.100 5: 16 0 15 0 150768.4600 -0.1469 0.100 -0.1222 0.33 11: 22 18 21 18 207275.5000 -0.0581 0.050 20: 26 15 25 15 244939.8000 -0.0436 0.050 4: 13 0 12 0 122504.9900 -0.0678 0.100 1: 1 0 0 0 9424.2931 0.0005 0.001 12: 22 19 21 19 207274.7800 -0.0248 0.050 27: 26 22 25 22 244933.6300 0.0182 0.050 25: 26 20 25 20 244935.6500 0.0170 0.050 _____________________________________ __________________________________________/ SPFIT output reformatted with PIFORM