(40Ar)2...HF: literature refit Fri Oct 06 15:18:22 2017 -------------------------------------------------------------------------------------========= obs o-c error blends Notes o-c wt / instead of : below denotes (o-c)>3*err -------------------------------------------------------------------------------------========= ! ! Gutowsky et al., J.Chem.Phys. 86, 569 (1987) ! 1: 1 1 1 0 0 0 4737.3190 -0.0016 0.003 ! 2: 2 2 0 2 1 1 5626.7300 0.0011 0.003 3: 2 0 2 1 1 1 3846.2450 -0.0010 0.003 4: 2 2 0 1 1 1 12582.4120 -0.0003 0.003 ! 5: 3 2 2 3 1 3 8177.3950 0.0007 0.003 6: 3 3 1 3 2 2 10690.9150 -0.0011 0.003 7: 3 1 3 2 0 2 9141.1140 -0.0005 0.003 8: 3 2 2 2 1 1 14209.0740 0.0025 0.003 ! 9: 4 1 3 4 0 4 6160.8550 -0.0027 0.003 10: 4 2 2 4 1 3 5267.7800 -0.0023 0.003 11: 4 3 1 4 2 2 9570.4940 -0.0016 0.003 12: 4 4 0 4 3 1 14594.6800 0.0018 0.003 13: 4 0 4 3 1 3 9761.1090 0.0017 0.003 14: 4 1 3 3 2 2 7744.5700 -0.0006 0.003 ! 15: 5 2 4 5 1 5 10999.0710 0.0011 0.003 16: 5 3 3 5 2 4 11499.1030 0.0000 0.003 17: 5 4 2 5 3 3 14683.2160 -0.0021 0.003 18: 5 1 5 4 0 4 13158.7590 -0.0019 0.003 ! 19: 6 1 5 6 0 6 11165.6500 0.0033 0.003 20: 6 2 4 6 1 5 6992.9650 -0.0009 0.003 21: 6 3 3 6 2 4 8160.5380 0.0031 0.003 22: 6 4 2 6 3 3 13752.3730 0.0003 0.003 23: 6 0 6 5 1 5 14940.6700 0.0001 0.003 24: 6 2 4 5 3 3 10601.1100 0.0005 0.003 ! 25: 7 2 6 7 1 7 14862.7180 -0.0021 0.003 26: 7 1 7 6 0 6 17514.1020 0.0000 0.003 -------------------------------------------------------------------------------- PARAMETERS IN FIT (values truncated and Nlines statistics): 10000 A /MHz 3576.4735(10) 1 20000 B /MHz 1739.19327(52) 2 30000 C /MHz 1160.93126(52) 3 200 DJ /kHz 16.992(18) 4 1100 DJK /kHz -0.049(84) 5 2000 DK /kHz 116.88(15) 6 40100 delJ /kHz 5.9809(28) 7 41000 delK /kHz 38.362(24) 8 300 HJ /Hz -0.21(22) 9 1200 HJK /Hz 9.7(15) 10 2100 HKJ /Hz -60.8(25) 11 3000 HK /Hz 66.9(65) 12 MICROWAVE AVG = -0.000107 MHz, IR AVG = 0.00000 MICROWAVE RMS = 0.001678 MHz, IR RMS = 0.00000 END OF ITERATION 1 OLD, NEW RMS ERROR= 0.55918 0.55918 distinct frequency lines in fit: 26 distinct parameters of fit: 12 upper state lower state overall limits of quantum number 1: 1 7 0 7 0 7 limits of quantum number 2: 0 4 0 3 0 4 limits of quantum number 3: 0 7 0 7 0 7 frequency range: 3846 17514 PARAMETERS IN FIT WITH STANDARD ERRORS ON THOSE THAT ARE FITTED: (values rounded and degrees of freedom, Ndegf=Nlines-Nconst, statistics) 10000 A /MHz 3576.47355(78) 1 20000 B /MHz 1739.19327(39) 2 30000 C /MHz 1160.93126(39) 3 200 DJ /kHz 16.992(13) 4 1100 DJK /kHz -0.049(64) 5 2000 DK /kHz 116.88(11) 6 40100 delJ /kHz 5.9809(21) 7 41000 delK /kHz 38.363(18) 8 300 HJ /Hz -0.22(16) 9 1200 HJK /Hz 9.8(12) 10 2100 HKJ /Hz -60.8(19) 11 3000 HK /Hz 66.9(49) 12 ------------------------------------------------------------------------------------------ Worst fitted constants, with greater than 20% uncertainty: % 1100 DJK /kHz -0.049(64) 5 130.6 300 HJ /Hz -0.22(16) 9 76.2 ------------------------------------------------------------------------------------------ CORRELATION COEFFICIENTS, C.ij: A B C -DJ -DJK -DK -delJ -delK A 1.0000 B 0.3227 1.0000 C 0.1797 0.5999 1.0000 -DJ -0.1930 -0.7614 -0.8649 1.0000 -DJK -0.5356 -0.2266 0.0996 -0.0358 1.0000 -DK -0.4079 0.2198 0.0758 -0.1165 -0.4212 1.0000 -delJ -0.2136 -0.4036 0.4395 -0.1578 0.4230 -0.1148 1.0000 -delK 0.1434 -0.0480 0.1893 -0.0205 -0.2348 0.0255 0.1014 1.0000 HJ 0.0860 0.5485 0.8311 -0.9482 0.1730 0.0629 0.3849 0.0417 HJK 0.4297 0.2564 -0.1271 0.0522 -0.9024 0.3784 -0.5694 0.2934 HKJ 0.0802 -0.0892 0.0717 -0.0527 0.0352 -0.0305 0.3804 -0.2782 HK 0.3750 -0.1230 -0.0826 0.1026 0.2952 -0.8825 -0.0845 0.1303 HJ HJK HKJ HK HJ 1.0000 HJK -0.2408 1.0000 HKJ 0.1826 -0.4299 1.0000 HK -0.1207 -0.0965 -0.4146 1.0000 Mean value of |C.ij|, i.ne.j = 0.2764 Mean value of C.ij, i.ne.j = -0.0336 No correlations with absolute value greater than 0.9950 Worst fitted lines (obs-calc/error): 19: 1.1 21: 1.0 9: -0.9 8: 0.8 10: -0.8 17: -0.7 25: -0.7 18: -0.6 12: 0.6 13: 0.6 11: -0.5 1: -0.5 15: 0.4 6: -0.4 2: 0.4 3: -0.3 20: -0.3 5: 0.2 14: -0.2 7: -0.2 24: 0.2 22: 0.1 4: -0.1 23: 0.0 26: 0.0 16: 0.0 19: 6 1 5 6 0 6 11165.6500 0.0033 0.003 21: 6 3 3 6 2 4 8160.5380 0.0031 0.003 9: 4 1 3 4 0 4 6160.8550 -0.0027 0.003 8: 3 2 2 2 1 1 14209.0740 0.0025 0.003 10: 4 2 2 4 1 3 5267.7800 -0.0023 0.003 17: 5 4 2 5 3 3 14683.2160 -0.0021 0.003 25: 7 2 6 7 1 7 14862.7180 -0.0021 0.003 18: 5 1 5 4 0 4 13158.7590 -0.0019 0.003 12: 4 4 0 4 3 1 14594.6800 0.0018 0.003 13: 4 0 4 3 1 3 9761.1090 0.0017 0.003 _____________________________________ __________________________________________/ SPFIT output reformatted with PIFORM