These ASCII-formatted files were generated by the Pickett's SPFIT program when fitting all the observed transitions independantly for the two isotopomers of the CH2Cl radical. They therefore contain in particular the observed and calculated frequencies, the parameters determined together with their standard deviation, and the matrix correlation table. Only the results of the last iteration are shown. For the readers unused with Pickett's programs, a small comment at the beginning of each file has been added to help retrieving the encoded quantum numbers. We used the following format for the quantum numbers: N Ka Kc v nn F where nn is the aggregate quantum numbers (also named TSP in the *.fit file). The correspondance between the usual quantum numbers and TSP can be found below. In short, the other quanta are defined as follows: N-F J-F F1-F I(H1)+I(H2) Last iteration of the *.fit file: CH2Cl Spin1=e-=0,5 Spin2=Cl=1,5 Spin3=H1=Spin4=H2=0.5 14:15: Tue May 25 17:02:36 2004 LINES REQUESTED= 725 NUMBER OF PARAMETERS= 48 NUMBER OF ITERATIONS= 5 MARQUARDT PARAMETER =0.0000E+000 max (OBS-CALC)/ERROR =8.0000E+000 PARAMETERS - A.PRIORI ERROR 1 1 10010000 -3.1494972127694E+003 1.000000E+001 eps_aa0 2 2 10020000 -2.3760655465452E+002 1.000000E+001 eps_bb0 3 3 10030000 1.1853049020815E+001 1.000000E+001 eps_cc0 4 4 10000 2.7432286683849E+005 1.000000E+003 A0 5 5 20000 1.5948005907176E+004 1.000000E+004 B0 6 6 30000 1.5057072218195E+004 1.000000E+004 C0 7 7 200 -2.2572779684970E-002 1.000000E+004 -DN0 8 8 1100 -5.1031275667110E-001 1.000000E+004 -DNK0 9 9 2000 -2.2850000000000E+001 1.000000E-037 -DK0 10 10 40100 -1.2468185679498E-003 1.000000E-004 -delN0 11 11 41000 -3.2145492638423E-001 1.000000E-001 -delK0 12 12 5001000 2.6898695949569E-001 1.000000E+001 DK_S0 13 13 5000100 9.7118006974940E-002 1.000000E+001 DNK_S0 14 14 1000100 0.0000000000000E+000 1.000000E+000 DN_S0 15 15 3000 0.0000000000000E+000 1.000000E-037 PhiK 16 16 2100 2.6089822113758E-005 1.000000E+000 PhiKN 17 17 1200 1.8169381534022E-006 1.000000E+000 PhiNK 18 18 300 0.0000000000000E+000 1.000000E-037 PhiN 19 19 42000 0.0000000000000E+000 1.000000E-037 phiK 20 20 41100 0.0000000000000E+000 1.000000E-037 phiNK 21 21 40200 0.0000000000000E+000 1.000000E-037 phiN 22 22 4000 0.0000000000000E+000 1.000000E-037 LK 23 23 3100 0.0000000000000E+000 1.000000E-037 LKKN 24 24 2200 0.0000000000000E+000 1.000000E-037 LNK 25 25 1300 0.0000000000000E+000 1.000000E-037 LNNK 26 26 400 0.0000000000000E+000 1.000000E-037 LN 27 27 43000 0.0000000000000E+000 1.000000E-037 lK 28 28 42100 0.0000000000000E+000 1.000000E-037 lKN 29 29 41200 0.0000000000000E+000 1.000000E-037 lNK 30 30 40300 0.0000000000000E+000 1.000000E-037 lN 31 31 120000000 8.4277581301274E+000 1.000000E+000 aF(Cl) 32 32 120010000 -4.8440161738483E+001 1.000000E+000 1.5Taa(Cl) 33 33 120040000 -1.9464674184841E+001 1.000000E+000 .25(Tb-Tc) 34 34 220010000 -9.9121341526721E+001 1.000000E+000 1.5XaaCl 35 35 220040000 4.7051124253323E+000 1.000000E+000 .25(Xb-Xc) 36 36 130000000 -6.1906595325693E+001 1.000000E+000 aF(H) 37 36 -140000000 -6.1906595325693E+001 1.000000 aF(H) 38 37 130010000 -3.2745675723198E+001 1.000000E+000 1.5Taa(H) 39 37 -140010000 -3.2745675723198E+001 1.000000 1.5Taa(H) 40 38 130040000 3.1163248606833E+000 1.000000E+000 .25(Tb-Tc) 41 38 -140040000 3.1163248606833E+000 1.000000 .25(Tb-Tc) 41 parameters read, 38 independent parameters ENERGY SORT OF WANG SUB-BLOCKS I(TOT) FOR LAST 2 SPINS IS LAST QUANTUM BEFORE F PROLATE ROTOR V KMIN KMAX ESYMWT SPINS 0 0 21 99 0.5 1.5 0.5 0.5 1 0 21 99 0.5 1.5 0.5 0.5 BLOCK - WT - SYM - V - TSP - N - other quanta (rel. to F=0 ) 1 1 x 0 0 -3.0 -2.5 -1.0 1.0 1 1 x 0 2 -2.0 -1.5 0.0 1.0 1 1 x 0 3 -2.0 -1.5 -1.0 1.0 1 1 x 0 4 -2.0 -2.5 -1.0 1.0 1 1 x 0 7 -1.0 -0.5 1.0 1.0 1 1 x 0 8 -1.0 -0.5 0.0 1.0 1 1 x 0 9 -1.0 -1.5 0.0 1.0 1 1 x 0 10 -1.0 -0.5 -1.0 1.0 1 1 x 0 11 -1.0 -1.5 -1.0 1.0 1 1 x 0 14 0.0 0.5 1.0 1.0 1 1 x 0 15 0.0 -0.5 1.0 1.0 1 1 x 0 16 0.0 0.5 0.0 1.0 1 1 x 0 17 0.0 -0.5 0.0 1.0 1 1 x 0 18 0.0 0.5 -1.0 1.0 1 1 x 0 19 0.0 -0.5 -1.0 1.0 1 1 x 0 22 1.0 1.5 1.0 1.0 1 1 x 0 23 1.0 0.5 1.0 1.0 1 1 x 0 24 1.0 1.5 0.0 1.0 1 1 x 0 25 1.0 0.5 0.0 1.0 1 1 x 0 26 1.0 0.5 -1.0 1.0 1 1 x 0 28 2.0 2.5 1.0 1.0 1 1 x 0 29 2.0 1.5 1.0 1.0 1 1 x 0 30 2.0 1.5 0.0 1.0 1 1 x 0 31 3.0 2.5 1.0 1.0 2 1 c 0 1 -2.0 -1.5 0.0 0.0 2 1 c 0 5 -1.0 -0.5 0.0 0.0 2 1 c 0 6 -1.0 -1.5 0.0 0.0 2 1 c 0 12 0.0 0.5 0.0 0.0 2 1 c 0 13 0.0 -0.5 0.0 0.0 2 1 c 0 20 1.0 1.5 0.0 0.0 2 1 c 0 21 1.0 0.5 0.0 0.0 2 1 c 0 27 2.0 1.5 0.0 0.0 3 1 b 0 1 -2.0 -1.5 0.0 0.0 3 1 b 0 5 -1.0 -0.5 0.0 0.0 3 1 b 0 6 -1.0 -1.5 0.0 0.0 3 1 b 0 12 0.0 0.5 0.0 0.0 3 1 b 0 13 0.0 -0.5 0.0 0.0 3 1 b 0 20 1.0 1.5 0.0 0.0 3 1 b 0 21 1.0 0.5 0.0 0.0 3 1 b 0 27 2.0 1.5 0.0 0.0 4 1 a 0 0 -3.0 -2.5 -1.0 1.0 4 1 a 0 2 -2.0 -1.5 0.0 1.0 4 1 a 0 3 -2.0 -1.5 -1.0 1.0 4 1 a 0 4 -2.0 -2.5 -1.0 1.0 4 1 a 0 7 -1.0 -0.5 1.0 1.0 4 1 a 0 8 -1.0 -0.5 0.0 1.0 4 1 a 0 9 -1.0 -1.5 0.0 1.0 4 1 a 0 10 -1.0 -0.5 -1.0 1.0 4 1 a 0 11 -1.0 -1.5 -1.0 1.0 4 1 a 0 14 0.0 0.5 1.0 1.0 4 1 a 0 15 0.0 -0.5 1.0 1.0 4 1 a 0 16 0.0 0.5 0.0 1.0 4 1 a 0 17 0.0 -0.5 0.0 1.0 4 1 a 0 18 0.0 0.5 -1.0 1.0 4 1 a 0 19 0.0 -0.5 -1.0 1.0 4 1 a 0 22 1.0 1.5 1.0 1.0 4 1 a 0 23 1.0 0.5 1.0 1.0 4 1 a 0 24 1.0 1.5 0.0 1.0 4 1 a 0 25 1.0 0.5 0.0 1.0 4 1 a 0 26 1.0 0.5 -1.0 1.0 4 1 a 0 28 2.0 2.5 1.0 1.0 4 1 a 0 29 2.0 1.5 1.0 1.0 4 1 a 0 30 2.0 1.5 0.0 1.0 4 1 a 0 31 3.0 2.5 1.0 1.0 5 1 x 1 0 -3.0 -2.5 -1.0 1.0 6 1 x 1 2 -2.0 -1.5 0.0 1.0 7 1 x 1 3 -2.0 -1.5 -1.0 1.0 8 1 x 1 4 -2.0 -2.5 -1.0 1.0 9 1 x 1 7 -1.0 -0.5 1.0 1.0 10 1 x 1 8 -1.0 -0.5 0.0 1.0 11 1 x 1 9 -1.0 -1.5 0.0 1.0 12 1 x 1 10 -1.0 -0.5 -1.0 1.0 13 1 x 1 11 -1.0 -1.5 -1.0 1.0 14 1 x 1 14 0.0 0.5 1.0 1.0 15 1 x 1 15 0.0 -0.5 1.0 1.0 16 1 x 1 16 0.0 0.5 0.0 1.0 17 1 x 1 17 0.0 -0.5 0.0 1.0 18 1 x 1 18 0.0 0.5 -1.0 1.0 19 1 x 1 19 0.0 -0.5 -1.0 1.0 20 1 x 1 22 1.0 1.5 1.0 1.0 21 1 x 1 23 1.0 0.5 1.0 1.0 22 1 x 1 24 1.0 1.5 0.0 1.0 23 1 x 1 25 1.0 0.5 0.0 1.0 24 1 x 1 26 1.0 0.5 -1.0 1.0 25 1 x 1 28 2.0 2.5 1.0 1.0 26 1 x 1 29 2.0 1.5 1.0 1.0 27 1 x 1 30 2.0 1.5 0.0 1.0 28 1 x 1 31 3.0 2.5 1.0 1.0 29 1 c 1 1 -2.0 -1.5 0.0 0.0 30 1 c 1 5 -1.0 -0.5 0.0 0.0 31 1 c 1 6 -1.0 -1.5 0.0 0.0 32 1 c 1 12 0.0 0.5 0.0 0.0 33 1 c 1 13 0.0 -0.5 0.0 0.0 34 1 c 1 20 1.0 1.5 0.0 0.0 35 1 c 1 21 1.0 0.5 0.0 0.0 36 1 c 1 27 2.0 1.5 0.0 0.0 37 1 b 1 1 -2.0 -1.5 0.0 0.0 38 1 b 1 5 -1.0 -0.5 0.0 0.0 39 1 b 1 6 -1.0 -1.5 0.0 0.0 40 1 b 1 12 0.0 0.5 0.0 0.0 41 1 b 1 13 0.0 -0.5 0.0 0.0 42 1 b 1 20 1.0 1.5 0.0 0.0 43 1 b 1 21 1.0 0.5 0.0 0.0 44 1 b 1 27 2.0 1.5 0.0 0.0 45 1 a 1 0 -3.0 -2.5 -1.0 1.0 46 1 a 1 2 -2.0 -1.5 0.0 1.0 47 1 a 1 3 -2.0 -1.5 -1.0 1.0 48 1 a 1 4 -2.0 -2.5 -1.0 1.0 49 1 a 1 7 -1.0 -0.5 1.0 1.0 50 1 a 1 8 -1.0 -0.5 0.0 1.0 51 1 a 1 9 -1.0 -1.5 0.0 1.0 52 1 a 1 10 -1.0 -0.5 -1.0 1.0 53 1 a 1 11 -1.0 -1.5 -1.0 1.0 54 1 a 1 14 0.0 0.5 1.0 1.0 55 1 a 1 15 0.0 -0.5 1.0 1.0 56 1 a 1 16 0.0 0.5 0.0 1.0 57 1 a 1 17 0.0 -0.5 0.0 1.0 58 1 a 1 18 0.0 0.5 -1.0 1.0 59 1 a 1 19 0.0 -0.5 -1.0 1.0 60 1 a 1 22 1.0 1.5 1.0 1.0 61 1 a 1 23 1.0 0.5 1.0 1.0 62 1 a 1 24 1.0 1.5 0.0 1.0 63 1 a 1 25 1.0 0.5 0.0 1.0 64 1 a 1 26 1.0 0.5 -1.0 1.0 65 1 a 1 28 2.0 2.5 1.0 1.0 66 1 a 1 29 2.0 1.5 1.0 1.0 67 1 a 1 30 2.0 1.5 0.0 1.0 68 1 a 1 31 3.0 2.5 1.0 1.0 Maximum Dimension for Hamiltonian = 264 EXP.FREQ. - CALC.FREQ. - DIFF. - EXP.ERR.- EST.ERR.-AVG. CALC.FREQ. - DIFF. - WT. 1: 4 0 4 0 31 1 3 0 3 0 31 0 124042.57800 124042.45263 0.12537 0.03000 0.00726 124042.57310 0.00490 0.1250 2: 4 0 4 0 25 3 3 0 3 0 25 2 124042.57800 124042.59032 -0.01232 0.03000 0.00726 124042.57310 0.00490 0.8750 3: 4 0 4 0 29 2 3 0 3 0 29 1 124038.88000 124038.89396 -0.01396 0.03000 0.00822 4: 4 0 4 0 19 4 3 0 3 0 19 3 124044.03300 124044.05641 -0.02341 0.03000 0.00724 5: 4 0 4 0 23 3 3 0 3 0 23 2 124042.18400 124042.18751 -0.00351 0.03000 0.00858 6: 4 0 4 0 17 4 3 0 3 0 17 3 124044.57300 124044.58185 -0.00885 0.03000 0.00672 7: 4 0 4 0 11 5 3 0 3 0 11 4 124046.11200 124046.06559 0.04641 0.03000 0.00613 124046.05551 0.05649 0.6000 8: 4 0 4 0 15 4 3 0 3 0 15 3 124046.11200 124046.04038 0.07162 0.03000 0.00613 124046.05551 0.05649 0.4000 9: 4 0 4 0 9 5 3 0 3 0 9 4 124047.05400 124047.04778 0.00622 0.03000 0.00642 10: 4 0 4 0 4 6 3 0 3 0 4 5 124047.88100 124047.87630 0.00470 0.03000 0.00703 11: 4 0 4 0 24 3 3 0 3 0 24 2 123935.63400 123935.72181 -0.08781 0.03000 0.00570 12: 4 0 4 0 18 4 3 0 3 0 18 3 123936.21600 123936.21130 0.00470 0.03000 0.00567 123936.19430 0.02170 0.3333 13: 4 0 4 0 10 5 3 0 3 0 10 4 123936.21600 123936.16466 0.05134 0.03000 0.00567 123936.19430 0.02170 0.3333 14: 4 0 4 0 14 4 3 0 3 0 14 3 123936.21600 123936.20696 0.00904 0.03000 0.00567 123936.19430 0.02170 0.3333 15: 4 0 4 0 8 5 3 0 3 0 8 4 123936.58800 123936.56196 0.02604 0.03000 0.00568 16: 4 0 4 0 7 5 3 0 3 0 7 4 123937.16300 123937.16929 -0.00629 0.03000 0.00718 17: 4 0 4 0 3 6 3 0 3 0 3 5 123937.80100 123937.56330 0.23770 0.03000 0.00558 123937.73965 0.06135 0.3333 18: 4 0 4 0 2 6 3 0 3 0 2 5 123937.80100 123937.75077 0.05023 0.03000 0.00558 123937.73965 0.06135 0.3333 19: 4 0 4 0 0 7 3 0 3 0 0 6 123937.80100 123937.90489 -0.10389 0.03000 0.00558 123937.73965 0.06135 0.3333 20: 4 1 3 0 27 2 3 1 2 0 27 1 125744.12700 125744.15763 -0.03063 0.03000 0.01318 21: 4 1 3 0 21 3 3 1 2 0 21 2 125740.98600 125740.96810 0.01790 0.03000 0.01500 22: 4 1 3 0 13 4 3 1 2 0 13 3 125740.49300 125740.64451 -0.15151 0.03000 0.01066 125740.49579 -0.00279 0.4000 23: 4 1 3 0 6 5 3 1 2 0 6 4 125740.49300 125740.39664 0.09636 0.03000 0.01066 125740.49579 -0.00279 0.6000 24: 4 1 3 0 20 3 3 1 2 0 20 2 125776.52600 125776.47692 0.04908 0.03000 0.00914 25: 4 1 3 0 12 4 3 1 2 0 12 3 125774.98600 125774.99179 -0.00579 0.03000 0.01313 26: 4 1 3 0 5 5 3 1 2 0 5 4 125775.97100 125775.97945 -0.00845 0.03000 0.00774 27: 4 1 3 0 1 6 3 1 2 0 1 5 125778.19900 125778.19953 -0.00053 0.03000 0.00896 28: 4 1 4 0 21 3 3 1 3 0 21 2 122115.09900 122115.12334 -0.02434 0.03000 0.01493 29: 4 1 4 0 13 4 3 1 3 0 13 3 122116.28600 122116.29709 -0.01109 0.03000 0.01620 30: 4 1 4 0 6 5 3 1 3 0 6 4 122120.74300 122120.75959 -0.01659 0.03000 0.01161 31: 4 1 4 0 20 3 3 1 3 0 20 2 122280.00900 122279.92436 0.08464 0.03000 0.01045 122279.98207 0.02693 0.4000 32: 4 1 4 0 12 4 3 1 3 0 12 3 122280.00900 122280.02055 -0.01155 0.03000 0.01045 122279.98207 0.02693 0.6000 33: 4 1 4 0 5 5 3 1 3 0 5 4 122281.63700 122281.63039 0.00661 0.03000 0.00752 34: 4 1 4 0 1 6 3 1 3 0 1 5 122284.24800 122284.25183 -0.00383 0.03000 0.00896 35: 4 2 2 0 26 3 3 2 1 0 26 2 123583.28800 123583.24332 0.04468 0.03000 0.01033 36: 4 2 2 0 25 3 3 2 1 0 25 2 123577.58200 123577.55863 0.02337 0.03000 0.00704 37: 4 2 2 0 19 4 3 2 1 0 19 3 123573.81700 123573.82558 -0.00858 0.03000 0.00737 38: 4 2 2 0 11 5 3 2 1 0 11 4 123567.55000 123567.60436 -0.05436 0.03000 0.00919 39: 4 2 2 0 4 6 3 2 1 0 4 5 123568.44500 123568.46010 -0.01510 0.03000 0.01031 40: 4 2 2 0 24 3 3 2 1 0 24 2 124268.52700 124268.34793 0.17907 0.03000 0.00561 124268.56703 -0.04003 0.2000 41: 4 2 2 0 10 5 3 2 1 0 10 4 124268.52700 124268.62181 -0.09481 0.03000 0.00561 124268.56703 -0.04003 0.8000 42: 4 2 2 0 18 4 3 2 1 0 18 3 124272.58900 124272.59318 -0.00418 0.03000 0.00595 124272.59965 -0.01065 0.4000 43: 4 2 2 0 7 5 3 2 1 0 7 4 124272.58900 124272.60397 -0.01497 0.03000 0.00595 124272.59965 -0.01065 0.6000 44: 4 2 2 0 22 3 3 2 1 0 22 2 124263.57300 124263.49602 0.07698 0.03000 0.00937 124263.58899 -0.01599 0.4000 45: 4 2 2 0 14 4 3 2 1 0 14 3 124263.57300 124263.65097 -0.07797 0.03000 0.00937 124263.58899 -0.01599 0.6000 46: 4 2 2 0 16 4 3 2 1 0 16 3 124264.81500 124264.84444 -0.02944 0.03000 0.00681 47: 4 2 2 0 8 5 3 2 1 0 8 4 124265.39500 124265.39861 -0.00361 0.03000 0.00712 48: 4 2 2 0 3 6 3 2 1 0 3 5 124269.40800 124269.41008 -0.00208 0.03000 0.00755 49: 4 2 2 0 2 6 3 2 1 0 2 5 124274.22100 124274.25400 -0.03300 0.03000 0.00737 50: 4 2 2 0 0 7 3 2 1 0 0 6 124278.55400 124278.59066 -0.03666 0.03000 0.00843 51: 4 2 3 0 26 3 3 2 2 0 26 2 123559.15800 123559.17447 -0.01647 0.03000 0.01027 52: 4 2 3 0 25 3 3 2 2 0 25 2 123553.43000 123553.42371 0.00629 0.03000 0.00708 53: 4 2 3 0 19 4 3 2 2 0 19 3 123549.73100 123549.70596 0.02504 0.03000 0.00738 54: 4 2 3 0 23 3 3 2 2 0 23 2 123547.10100 123547.06013 0.04087 0.03000 0.00848 123547.12666 -0.02566 0.1667 55: 4 2 3 0 17 4 3 2 2 0 17 3 123547.10100 123546.95823 0.14277 0.03000 0.00848 123547.12666 -0.02566 0.1667 56: 4 2 3 0 9 5 3 2 2 0 9 4 123547.10100 123547.18540 -0.08440 0.03000 0.00848 123547.12666 -0.02566 0.6667 57: 4 2 3 0 11 5 3 2 2 0 11 4 123543.39100 123543.40361 -0.01261 0.03000 0.00926 58: 4 2 3 0 4 6 3 2 2 0 4 5 123544.16200 123544.15402 0.00798 0.03000 0.01034 59: 4 2 3 0 28 2 3 2 2 0 28 1 124245.39400 124245.32303 0.07097 0.03000 0.01006 60: 4 2 3 0 24 3 3 2 2 0 24 2 124246.67800 124246.45230 0.22570 0.03000 0.00562 124246.71215 -0.03415 0.2000 61: 4 2 3 0 10 5 3 2 2 0 10 4 124246.67800 124246.77711 -0.09911 0.03000 0.00562 124246.71215 -0.03415 0.8000 62: 4 2 3 0 18 4 3 2 2 0 18 3 124250.81100 124250.68624 0.12476 0.03000 0.00596 124250.80580 0.00520 0.4000 63: 4 2 3 0 7 5 3 2 2 0 7 4 124250.81100 124250.88551 -0.07451 0.03000 0.00596 124250.80580 0.00520 0.6000 64: 4 2 3 0 22 3 3 2 2 0 22 2 124241.81300 124241.66606 0.14694 0.03000 0.00938 124241.79621 0.01679 0.4000 65: 4 2 3 0 14 4 3 2 2 0 14 3 124241.81300 124241.88299 -0.06999 0.03000 0.00938 124241.79621 0.01679 0.6000 66: 4 2 3 0 16 4 3 2 2 0 16 3 124242.99800 124243.00695 -0.00895 0.03000 0.00683 67: 4 2 3 0 8 5 3 2 2 0 8 4 124243.64800 124243.62046 0.02754 0.03000 0.00713 68: 4 2 3 0 3 6 3 2 2 0 3 5 124247.64600 124247.62321 0.02279 0.03000 0.00760 69: 4 2 3 0 2 6 3 2 2 0 2 5 124252.49700 124252.52607 -0.02907 0.03000 0.00738 70: 4 2 3 0 0 7 3 2 2 0 0 6 124256.81700 124256.85234 -0.03534 0.03000 0.00846 71: 5 0 5 0 31 2 4 0 4 0 31 1 155020.46100 155020.40318 0.05782 0.03000 0.00679 155020.44764 0.01336 0.6667 72: 5 0 5 0 25 4 4 0 4 0 25 3 155020.46100 155020.50154 -0.04054 0.03000 0.00679 155020.44764 0.01336 0.1333 73: 5 0 5 0 23 4 4 0 4 0 23 3 155020.46100 155020.55993 -0.09893 0.03000 0.00679 155020.44764 0.01336 0.2000 74: 5 0 5 0 30 3 4 0 4 0 30 2 155021.79600 155021.86805 -0.07205 0.03000 0.00590 155021.80747 -0.01147 0.2500 75: 5 0 5 0 26 4 4 0 4 0 26 3 155021.79600 155022.03590 -0.23990 0.03000 0.00590 155021.80747 -0.01147 0.2500 76: 5 0 5 0 17 5 4 0 4 0 17 4 155021.79600 155021.66297 0.13303 0.03000 0.00590 155021.80747 -0.01147 0.5000 77: 5 0 5 0 29 3 4 0 4 0 29 2 155018.88500 155018.83906 0.04594 0.03000 0.00712 78: 5 0 5 0 19 5 4 0 4 0 19 4 155021.26600 155021.27172 -0.00572 0.03000 0.00715 79: 5 0 5 0 11 6 4 0 4 0 11 5 155022.43400 155022.43879 -0.00479 0.03000 0.00593 155022.42843 0.00557 0.6000 80: 5 0 5 0 15 5 4 0 4 0 15 4 155022.43400 155022.41289 0.02111 0.03000 0.00593 155022.42843 0.00557 0.4000 81: 5 0 5 0 9 6 4 0 4 0 9 5 155022.97400 155023.00684 -0.03284 0.03000 0.00634 82: 5 0 5 0 28 3 4 0 4 0 28 2 154912.43100 154912.42505 0.00595 0.03000 0.00702 154912.42957 0.00143 0.4000 83: 5 0 5 0 22 4 4 0 4 0 22 3 154912.43100 154912.43259 -0.00159 0.03000 0.00702 154912.42957 0.00143 0.6000 84: 5 0 5 0 24 4 4 0 4 0 24 3 154912.90900 154913.10373 -0.19473 0.03000 0.00541 154912.92778 -0.01878 0.4000 85: 5 0 5 0 16 5 4 0 4 0 16 4 154912.90900 154912.81048 0.09852 0.03000 0.00541 154912.92778 -0.01878 0.6000 86: 5 0 5 0 18 5 4 0 4 0 18 4 154913.56400 154913.50254 0.06146 0.03000 0.00599 154913.57589 -0.01189 0.4000 87: 5 0 5 0 10 6 4 0 4 0 10 5 154913.56400 154913.62479 -0.06079 0.03000 0.00599 154913.57589 -0.01189 0.6000 88: 5 0 5 0 14 5 4 0 4 0 14 4 154914.09000 154913.91269 0.17731 0.03000 0.00574 154914.10872 -0.01872 0.3333 89: 5 0 5 0 8 6 4 0 4 0 8 5 154914.09000 154914.09937 -0.00937 0.03000 0.00574 154914.10872 -0.01872 0.3333 90: 5 0 5 0 7 6 4 0 4 0 7 5 154914.09000 154914.31411 -0.22411 0.03000 0.00574 154914.10872 -0.01872 0.3333 91: 5 0 5 0 3 7 4 0 4 0 3 6 154914.73000 154914.63205 0.09795 0.03000 0.00577 154914.70798 0.02202 0.3333 92: 5 0 5 0 2 7 4 0 4 0 2 6 154914.73000 154914.66420 0.06580 0.03000 0.00577 154914.70798 0.02202 0.3333 93: 5 0 5 0 0 8 4 0 4 0 0 7 154914.73000 154914.82768 -0.09768 0.03000 0.00577 154914.70798 0.02202 0.3333 94: 5 1 4 0 27 3 4 1 3 0 27 2 157231.82400 157231.85201 -0.02801 0.03000 0.00966 95: 5 1 4 0 21 4 4 1 3 0 21 3 157230.27700 157230.11398 0.16302 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14 13 5 8 0 13 13 433359.37300 433359.02585 0.34715 0.05000 0.01461 433359.33725 0.03575 0.1667 404: 14 5 10 0 6 15 13 5 9 0 6 14 433359.37300 433359.46129 -0.08829 0.05000 0.01461 433359.33725 0.03575 0.1667 405: 14 5 9 0 6 15 13 5 8 0 6 14 433359.37300 433359.46158 -0.08858 0.05000 0.01461 433359.33725 0.03575 0.1667 406: 14 5 10 0 21 13 13 5 9 0 21 12 433359.37300 433359.52445 -0.15145 0.05000 0.01461 433359.33725 0.03575 0.1667 407: 14 5 9 0 21 13 13 5 8 0 21 12 433359.37300 433359.52474 -0.15174 0.05000 0.01461 433359.33725 0.03575 0.1667 408: 14 5 10 0 27 12 13 5 9 0 27 11 433360.98100 433360.92607 0.05493 0.05000 0.01458 433360.92621 0.05479 0.5000 409: 14 5 9 0 27 12 13 5 8 0 27 11 433360.98100 433360.92636 0.05464 0.05000 0.01458 433360.92621 0.05479 0.5000 410: 14 5 10 0 12 14 13 5 9 0 12 13 433647.26800 433646.92877 0.33923 0.05000 0.01408 433647.22388 0.04412 0.1667 411: 14 5 9 0 12 14 13 5 8 0 12 13 433647.26800 433646.92903 0.33897 0.05000 0.01408 433647.22388 0.04412 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0.00000 433097.08042 -999.99999 0.05000 0.01649 433096.63725 -999.99999 0.0833 ***** NEXT LINE NOT USED IN FIT 430: 14 6 8 0 25 13 13 6 7 0 25 12 433097.00600 433097.30081 -0.29481 0.05000 0.01640 433098.32839 -1.32239 0.0833 431: 14 6 9 0 25 13 13 6 8 0 25 12 433097.00600 433097.30081 -0.29481 0.05000 0.01640 433098.32839 -1.32239 0.0833 432: 14 6 8 0 15 14 13 6 7 0 15 13 433097.00600 433097.37379 -0.36779 0.05000 0.01640 433098.32839 -1.32239 0.0833 433: 14 6 9 0 15 14 13 6 8 0 15 13 433097.00600 433097.37379 -0.36779 0.05000 0.01640 433098.32839 -1.32239 0.0833 434: 14 6 8 0 29 12 13 6 7 0 29 11 433097.00600 433097.58858 -0.58258 0.05000 0.01640 433098.32839 -1.32239 0.0833 435: 14 6 9 0 29 12 13 6 8 0 29 11 433097.00600 433097.58858 -0.58258 0.05000 0.01640 433098.32839 -1.32239 0.0833 436: 14 6 8 0 26 13 13 6 7 0 26 12 433097.00600 433098.81372 -1.80772 0.05000 0.01640 433098.32839 -1.32239 0.0833 437: 14 6 9 0 26 13 13 6 8 0 26 12 433097.00600 433098.81372 -1.80772 0.05000 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24 12 433556.42900 433556.63304 -0.20404 0.05000 0.02176 433556.41931 0.00969 0.0556 456: 14 6 8 0 3 16 13 6 7 0 3 15 433556.42900 433557.10252 -0.67352 0.05000 0.02176 433556.41931 0.00969 0.0556 457: 14 6 9 0 3 16 13 6 8 0 3 15 433556.42900 433557.10252 -0.67352 0.05000 0.02176 433556.41931 0.00969 0.0556 458: 14 6 8 0 18 14 13 6 7 0 18 13 433556.42900 433557.25047 -0.82147 0.05000 0.02176 433556.41931 0.00969 0.0556 459: 14 6 9 0 18 14 13 6 8 0 18 13 433556.42900 433557.25047 -0.82147 0.05000 0.02176 433556.41931 0.00969 0.0556 460: 14 6 8 0 7 15 13 6 7 0 7 14 433558.50800 433558.01788 0.49012 0.05000 0.02170 433558.50719 0.00081 0.1667 461: 14 6 9 0 7 15 13 6 8 0 7 14 433558.50800 433558.01788 0.49012 0.05000 0.02170 433558.50719 0.00081 0.1667 462: 14 6 8 0 2 16 13 6 7 0 2 15 433558.50800 433558.44434 0.06366 0.05000 0.02170 433558.50719 0.00081 0.1667 463: 14 6 9 0 2 16 13 6 8 0 2 15 433558.50800 433558.44434 0.06366 0.05000 0.02170 433558.50719 0.00081 0.1667 464: 14 6 8 0 0 17 13 6 7 0 0 16 433558.50800 433559.05934 -0.55134 0.05000 0.02170 433558.50719 0.00081 0.1667 465: 14 6 9 0 0 17 13 6 8 0 0 16 433558.50800 433559.05934 -0.55134 0.05000 0.02170 433558.50719 0.00081 0.1667 ***** NEXT LINE NOT USED IN FIT 466: 14 7 7 0 12 14 13 7 6 0 12 13 433458.68600 433455.31403 3.37197 0.05000 0.04733 433456.56372 2.12228 0.1250 467: 14 7 8 0 12 14 13 7 7 0 12 13 433458.68600 433455.31403 3.37197 0.05000 0.04733 433456.56372 2.12228 0.1250 468: 14 7 7 0 5 15 13 7 6 0 5 14 433458.68600 433455.99816 2.68784 0.05000 0.04733 433456.56372 2.12228 0.1250 469: 14 7 8 0 5 15 13 7 7 0 5 14 433458.68600 433455.99816 2.68784 0.05000 0.04733 433456.56372 2.12228 0.1250 470: 14 7 7 0 20 13 13 7 6 0 20 12 433458.68600 433456.28821 2.39779 0.05000 0.04733 433456.56372 2.12228 0.1250 471: 14 7 8 0 20 13 13 7 7 0 20 12 433458.68600 433456.28821 2.39779 0.05000 0.04733 433456.56372 2.12228 0.1250 472: 14 7 7 0 1 16 13 7 6 0 1 15 433458.68600 433458.65450 0.03150 0.05000 0.04733 433456.56372 2.12228 0.1250 473: 14 7 8 0 1 16 13 7 7 0 1 15 433458.68600 433458.65450 0.03150 0.05000 0.04733 433456.56372 2.12228 0.1250 ***** NEXT LINE NOT USED IN FIT 474: 14 7 7 0 13 14 13 7 6 0 13 13 32796.82300 432796.61232 -999.99999 0.05000 0.03150 432797.24141 -999.99999 0.1667 475: 14 7 8 0 13 14 13 7 7 0 13 13 32796.82300 432796.61232 -999.99999 0.05000 0.03150 432797.24141 -999.99999 0.1667 476: 14 7 7 0 6 15 13 7 6 0 6 14 32796.82300 432797.36766 -999.99999 0.05000 0.03150 432797.24141 -999.99999 0.1667 477: 14 7 8 0 6 15 13 7 7 0 6 14 32796.82300 432797.36766 -999.99999 0.05000 0.03150 432797.24141 -999.99999 0.1667 478: 14 7 7 0 21 13 13 7 6 0 21 12 32796.82300 432797.74424 -999.99999 0.05000 0.03150 432797.24141 -999.99999 0.1667 479: 14 7 8 0 21 13 13 7 7 0 21 12 32796.82300 432797.74424 -999.99999 0.05000 0.03150 432797.24141 -999.99999 0.1667 ***** NEXT LINE NOT USED IN FIT 480: 14 7 7 0 27 12 13 7 6 0 27 11 432797.54500 432800.43726 -2.89226 0.05000 0.03158 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464057.82075 0.06325 0.1667 679: 15 6 9 0 30 13 14 6 8 0 30 12 464057.88400 464057.87748 0.00652 0.05000 0.01632 464057.82075 0.06325 0.1667 680: 15 6 10 0 31 12 14 6 9 0 31 11 464057.88400 464058.09955 -0.21555 0.05000 0.01632 464057.82075 0.06325 0.1667 681: 15 6 9 0 31 12 14 6 8 0 31 11 464057.88400 464058.09955 -0.21555 0.05000 0.01632 464057.82075 0.06325 0.1667 ***** NEXT LINE NOT USED IN FIT 682: 15 6 10 0 22 14 14 6 9 0 22 13 0.00000 464442.63989 -999.99999 0.05000 0.02324 464442.63989 -999.99999 0.5000 683: 15 6 9 0 22 14 14 6 8 0 22 13 0.00000 464442.63989 -999.99999 0.05000 0.02324 464442.63989 -999.99999 0.5000 684: 15 6 10 0 16 15 14 6 9 0 16 14 464443.44900 464442.98991 0.45909 0.05000 0.02326 464443.47690 -0.02790 0.0625 685: 15 6 9 0 16 15 14 6 8 0 16 14 464443.44900 464442.98991 0.45909 0.05000 0.02326 464443.47690 -0.02790 0.0625 686: 15 6 10 0 14 15 14 6 9 0 14 14 464443.44900 464443.10682 0.34218 0.05000 0.02326 464443.47690 -0.02790 0.0625 687: 15 6 9 0 14 15 14 6 8 0 14 14 464443.44900 464443.10683 0.34217 0.05000 0.02326 464443.47690 -0.02790 0.0625 688: 15 6 10 0 28 13 14 6 9 0 28 12 464443.44900 464443.19070 0.25830 0.05000 0.02326 464443.47690 -0.02790 0.0625 689: 15 6 9 0 28 13 14 6 8 0 28 12 464443.44900 464443.19071 0.25829 0.05000 0.02326 464443.47690 -0.02790 0.0625 690: 15 6 10 0 8 16 14 6 9 0 8 15 464443.44900 464443.45590 -0.00690 0.05000 0.02326 464443.47690 -0.02790 0.0625 691: 15 6 9 0 8 16 14 6 8 0 8 15 464443.44900 464443.45590 -0.00690 0.05000 0.02326 464443.47690 -0.02790 0.0625 692: 15 6 10 0 10 16 14 6 9 0 10 15 464443.44900 464443.50333 -0.05433 0.05000 0.02326 464443.47690 -0.02790 0.0625 693: 15 6 9 0 10 16 14 6 8 0 10 15 464443.44900 464443.50333 -0.05433 0.05000 0.02326 464443.47690 -0.02790 0.0625 694: 15 6 10 0 24 14 14 6 9 0 24 13 464443.44900 464443.54178 -0.09278 0.05000 0.02326 464443.47690 -0.02790 0.0625 695: 15 6 9 0 24 14 14 6 8 0 24 13 464443.44900 464443.54178 -0.09278 0.05000 0.02326 464443.47690 -0.02790 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464445.10147 0.03353 0.1667 705: 15 6 9 0 0 18 14 6 8 0 0 17 464445.13500 464445.56111 -0.42611 0.05000 0.02321 464445.10147 0.03353 0.1667 706: 15 7 8 0 27 13 14 7 7 0 27 12 463756.98200 463757.01942 -0.03742 0.05000 0.02636 463757.01942 -0.03742 0.5000 707: 15 7 9 0 27 13 14 7 8 0 27 12 463756.98200 463757.01942 -0.03742 0.05000 0.02636 463757.01942 -0.03742 0.5000 708: 15 7 8 0 6 16 14 7 7 0 6 15 463754.67200 463754.56024 0.11176 0.05000 0.02630 463754.69164 -0.01964 0.2500 709: 15 7 9 0 6 16 14 7 8 0 6 15 463754.67200 463754.56024 0.11176 0.05000 0.02630 463754.69164 -0.01964 0.2500 710: 15 7 8 0 21 14 14 7 7 0 21 13 463754.67200 463754.82305 -0.15105 0.05000 0.02630 463754.69164 -0.01964 0.2500 711: 15 7 9 0 21 14 14 7 8 0 21 13 463754.67200 463754.82305 -0.15105 0.05000 0.02630 463754.69164 -0.01964 0.2500 712: 15 7 8 0 13 15 14 7 7 0 13 14 463753.96100 463753.93129 0.02971 0.05000 0.02631 463753.93129 0.02971 0.5000 713: 15 7 9 0 13 15 14 7 8 0 13 14 463753.96100 463753.93129 0.02971 0.05000 0.02631 463753.93129 0.02971 0.5000 ***** NEXT LINE NOT USED IN FIT 714: 15 7 8 0 20 14 14 7 7 0 20 13 0.00000 464317.21344 -999.99999 0.05000 0.05173 464143.05098 -999.99999 0.0833 715: 15 7 9 0 20 14 14 7 8 0 20 13 0.00000 464317.21344 -999.99999 0.05000 0.05173 464143.05098 -999.99999 0.0833 716: 15 7 8 0 12 15 14 7 7 0 12 14 0.00000 464316.43643 -999.99999 0.05000 0.05173 464143.05098 -999.99999 0.0833 717: 15 7 9 0 12 15 14 7 8 0 12 14 0.00000 464316.43643 -999.99999 0.05000 0.05173 464143.05098 -999.99999 0.0833 718: 15 7 8 0 5 16 14 7 7 0 5 15 0.00000 464317.02294 -999.99999 0.05000 0.05173 464143.05098 -999.99999 0.0833 719: 15 7 9 0 5 16 14 7 8 0 5 15 0.00000 464317.02294 -999.99999 0.05000 0.05173 464143.05098 -999.99999 0.0833 720: 15 7 8 0 1 17 14 7 7 0 1 16 0.00000 464319.18474 -999.99999 0.05000 0.05173 464143.05098 -999.99999 0.0833 721: 15 7 9 0 1 17 14 7 8 0 1 16 0.00000 464319.18474 -999.99999 0.05000 0.05173 464143.05098 -999.99999 0.0833 722: 15 8 7 0 8 16 14 8 6 0 8 15 0.00000 464174.37109 -999.99999 0.05000 0.05173 464143.05098 -999.99999 0.0833 723: 15 8 8 0 8 16 14 8 7 0 8 15 0.00000 464174.37109 -999.99999 0.05000 0.05173 464143.05098 -999.99999 0.0833 724: 15 8 7 0 17 15 14 8 6 0 17 14 0.00000 463414.07724 -999.99999 0.05000 0.05173 464143.05098 -999.99999 0.0833 725: 15 8 8 0 17 15 14 8 7 0 17 14 0.00000 463414.07724 -999.99999 0.05000 0.05173 464143.05098 -999.99999 0.0833 12 Lines rejected from fit NORMALIZED DIAGONAL: 1 2.64099E-001 2 2.26081E-001 3 4.42240E-001 4 1.00000E+000 5 6.11897E-001 6 4.07909E-002 7 1.00000E+000 8 2.07675E-001 9 1.00000E+000 10 9.18150E-001 11 5.54301E-001 12 8.60855E-001 13 3.63527E-001 14 9.54866E-001 15 1.00000E+000 16 7.76614E-001 17 1.19663E-001 18 1.00000E+000 19 1.00000E+000 20 1.00000E+000 21 1.00000E+000 22 1.00000E+000 23 1.00000E+000 24 1.00000E+000 25 1.00000E+000 26 1.00000E+000 27 1.00000E+000 28 1.00000E+000 29 1.00000E+000 30 1.00000E+000 31 9.88985E-001 32 9.81376E-001 33 6.58716E-001 34 9.99786E-001 35 9.99964E-001 36 9.99596E-001 37 8.90019E-001 38 9.99998E-001 MARQUARDT PARAMETER = 0, TRUST EXPANSION = 1.00 NEW PARAMETER (EST. ERROR) -- CHANGE THIS ITERATION 1 10010000 eps_aa0 -3149.709( 80) 0.000 2 10020000 eps_bb0 -237.627( 33) 0.000 3 10030000 eps_cc0 11.7941(310) 0.0000 4 10000 A0 274317.6( 52) 0.0 5 20000 B0 15948.0083( 79) -0.0000 6 30000 C0 15057.0693( 79) -0.0000 7 200 -DN0 -0.0225721( 34) 0.0000000 8 1100 -DNK0 -0.510158( 77) 0.000000 9 2000 -DK0 -22.850000000( 0) 0.000000000 10 40100 -delN0 -1.24615(252)E-03 -0.00000E-03 11 41000 -delK0 -0.3229( 39) 0.0000 12 5001000 DK_S0 0.2647( 55) -0.0000 13 5000100 DNK_S0 0.09061(141) 0.00000 14 1000100 DN_S0 0.276( 40)E-03 -0.000E-03 15 3000 PhiK 0.000(100)E-36 0.000E-36 16 2100 PhiKN 0.02869(150)E-03 0.00000E-03 17 1200 PhiNK 1.236(216)E-06 -0.000E-06 18 300 PhiN 0.000(100)E-36 0.000E-36 19 42000 phiK -0.000(100)E-36 -0.000E-36 20 41100 phiNK 0.000(100)E-36 -0.000E-36 21 40200 phiN -0.000(100)E-36 -0.000E-36 22 4000 LK -0.000(100)E-36 0.000E-36 23 3100 LKKN 0.000(100)E-36 0.000E-36 24 2200 LNK -0.000(100)E-36 -0.000E-36 25 1300 LNNK -0.000(100)E-36 -0.000E-36 26 400 LN -0.000(100)E-36 -0.000E-36 27 43000 lK 0.000(100)E-36 0.000E-36 28 42100 lKN 0.000(100)E-36 0.000E-36 29 41200 lNK 0.000(100)E-36 0.000E-36 30 40300 lN 0.000(100)E-36 0.000E-36 31 120000000 aF(Cl) 8.532( 90) -0.000 32 120010000 1.5Taa(Cl) -48.445( 43) -0.000 33 120040000 .25(Tb-Tc) -19.576(208) -0.000 34 220010000 1.5XaaCl -99.105(115) -0.000 35 220040000 .25(Xb-Xc) 4.89( 41) 0.00 36 130000000 aF(H) -61.755(176) 0.000 37 130010000 1.5Taa(H) -32.748( 75) 0.000 38 130040000 .25(Tb-Tc) 3.37( 81) 0.00 MICROWAVE AVG = -0.000076 MHz, IR AVG = 0.00000 MICROWAVE RMS = 0.035167 MHz, IR RMS = 0.00000 END OF ITERATION 2 OLD, NEW RMS ERROR= 0.95984 0.95984 1 2 0.301045 1 3 0.119753 1 4 -0.036898 1 5 0.017685 1 6 -0.031310 1 7 0.030021 1 8 -0.072864 1 9 0.000000 1 10 0.045335 1 11 -0.034080 1 12 -0.710610 1 13 -0.006530 1 14 -0.356205 1 15 0.000000 1 16 0.228814 1 17 -0.049877 1 18 0.000000 1 19 0.000000 1 20 0.000000 1 21 -0.000000 1 22 -0.000000 1 23 0.000000 1 24 -0.000000 1 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