____________________________________________________________________________ | | | QSTARK - Fully diagonalizing fit of Stark shifts in a rotor | | with zero or one quadrupolar nuclei | |____________________________________________________________________________| version 4.X.2017 Zbigniew KISIEL ------------------------------------------------------------------------------ 81Br Bromobenzene ------------------------------------------------------------------------------ Calculation for J and F exceeding the value in data by at least 2 The fit will be made to TRANSITION FREQUENCIES 52 Lines read in 51 Lines fitted ---> 4 field free and 47 at non-zero field 1 Constants fitted TRANSITIONS (F and MF in units of 1/2): J K K <- J K K F MF<- F MF Volts Obs Obs-Calc Error Calc Field Field**2 -1 +1 -1 +1 ! ! Transition 5_05 <-- 4_04 ! ! F 7/2 <-- 5/2 ! 1. 5 0 5 4 0 4 7 5 5 5 0.0 9056.99470 0.00012 0.00200 9056.9946 0.0000 0.00 ! 2. 5 0 5 4 0 4 7 5 5 5 2648.8 9057.03650 -0.00135 0.00200 9057.0379 98.2857 9660.08 3. 5 0 5 4 0 4 7 3 5 3 2648.8 9057.00270 0.00092 0.00200 9057.0018 98.2857 9660.08 4. 5 0 5 4 0 4 7 1 5 1 2648.8 9056.98300 -0.00074 0.00200 9056.9837 98.2857 9660.08 ! 5. 5 0 5 4 0 4 7 5 5 5 5391.1 9057.17480 0.00087 0.00200 9057.1739 200.0408 40016.33 6. 5 0 5 4 0 4 7 3 5 3 5391.1 9057.02520 0.00074 0.00200 9057.0245 200.0408 40016.33 7. 5 0 5 4 0 4 7 1 5 1 5391.1 9056.94790 -0.00178 0.00200 9056.9497 200.0408 40016.33 ! 8. 5 0 5 4 0 4 7 5 5 5 7613.9 9057.35220 -0.00034 0.00200 9057.3525 282.5195 79817.26 9. 5 0 5 4 0 4 7 3 5 3 7613.9 9057.05300 -0.00135 0.00200 9057.0543 282.5195 79817.26 10. 5 0 5 4 0 4 7 1 5 1 7613.9 9056.90400 -0.00106 0.00200 9056.9051 282.5195 79817.26 ! 11. 5 0 5 4 0 4 7 5 5 5 9251.6 9057.52160 -0.00181 0.00200 9057.5234 343.2876 117846.36 12. 5 0 5 4 0 4 7 3 5 3 9251.6 9057.08400 0.00094 0.00200 9057.0831 343.2876 117846.36 13. 5 0 5 4 0 4 7 1 5 1 9251.6 9056.86160 -0.00085 0.00200 9056.8624 343.2876 117846.36 ! 14. 5 0 5 4 0 4 7 5 5 5 10810.7 9057.71380 -0.00338 0.00200 9057.7172 401.1391 160912.61 15. 5 0 5 4 0 4 7 3 5 3 10810.7 9057.11630 0.00055 0.00200 9057.1157 401.1391 160912.61 16. 5 0 5 4 0 4 7 1 5 1 10810.7 9056.81290 -0.00133 0.00200 9056.8142 401.1391 160912.61 ! 17. 5 0 5 4 0 4 7 5 5 5 12433.5 9057.95020 -0.00100 0.00200 9057.9512 461.3544 212847.85 18. 5 0 5 4 0 4 7 3 5 3 12433.5 9057.15600 0.00057 0.00200 9057.1554 461.3544 212847.85 19. 5 0 5 4 0 4 7 1 5 1 12433.5 9056.75320 -0.00293 0.00200 9056.7561 461.3544 212847.85 ! ! F 9/2 <-- 7/2 ! 20. 5 0 5 4 0 4 9 5 7 5 0.0 9056.49480 -0.00060 0.00200 9056.4954 0.0000 0.00 ! 21. 5 0 5 4 0 4 9 7 7 7 2648.8 9056.53210 0.00136 0.00200 9056.5307 98.2857 9660.08 22. 5 0 5 4 0 4 9 5 7 5 2648.8 9056.51580 0.00677-- 0.00200 9056.5090 98.2857 9660.08 23. 5 0 5 4 0 4 9 1 7 1 2648.8 9056.48420 -0.00312 0.00200 9056.4873 98.2857 9660.08 ! 24. 5 0 5 4 0 4 9 7 7 7 5391.1 9056.64250 0.00045 0.00200 9056.6421 200.0408 40016.33 25. 5 0 5 4 0 4 9 5 7 5 5391.1 9056.55280 0.00080 0.00200 9056.5520 200.0408 40016.33 26. 5 0 5 4 0 4 9 3 7 3 5391.1 9056.49040 -0.00157 0.00200 9056.4920 200.0408 40016.33 27. 5 0 5 4 0 4 9 1 7 1 5391.1 9056.46020 -0.00175 0.00200 9056.4620 200.0408 40016.33 ! 28. 5 0 5 4 0 4 9 7 7 7 7613.9 9056.78820 -0.00032 0.00200 9056.7885 282.5195 79817.26 29. 5 0 5 4 0 4 9 5 7 5 7613.9 9056.60990 0.00131 0.00200 9056.6086 282.5195 79817.26 30. 5 0 5 4 0 4 9 3 7 3 7613.9 9056.48750 -0.00116 0.00200 9056.4887 282.5195 79817.26 31. 5 0 5 4 0 4 9 1 7 1 7613.9 9056.42740 -0.00129 0.00200 9056.4287 282.5195 79817.26 ! 32. 5 0 5 4 0 4 9 7 7 7 9251.6 9056.92910 0.00009 0.00200 9056.9290 343.2876 117846.36 33. 5 0 5 4 0 4 9 5 7 5 9251.6 9056.66400 0.00106 0.00200 9056.6629 343.2876 117846.36 34. 5 0 5 4 0 4 9 3 7 3 9251.6 9056.48520 -0.00039 0.00200 9056.4856 343.2876 117846.36 35. 5 0 5 4 0 4 9 1 7 1 9251.6 9056.39630 -0.00062 0.00200 9056.3969 343.2876 117846.36 ! 36. 5 0 5 4 0 4 9 5 7 5 10810.7 9056.72490 0.00010 0.00200 9056.7248 401.1391 160912.61 37. 5 0 5 4 0 4 9 3 7 3 10810.7 9056.48030 -0.00191 0.00200 9056.4822 401.1391 160912.61 38. 5 0 5 4 0 4 9 1 7 1 10810.7 9056.35980 -0.00114 0.00200 9056.3609 401.1391 160912.61 ! 39. 5 0 5 4 0 4 9 7 7 7 12433.5 9057.28410 0.00181 0.00200 9057.2823 461.3544 212847.85 40. 5 0 5 4 0 4 9 5 7 5 12433.5 9056.79970 -0.00014 0.00200 9056.7998 461.3544 212847.85 41. 5 0 5 4 0 4 9 3 7 3 12433.5 9056.47620 -0.00209 0.00200 9056.4783 461.3544 212847.85 42. 5 0 5 4 0 4 9 1 7 1 12433.5 9056.31720 -0.00036 0.00200 9056.3176 461.3544 212847.85 ! ! Transition 6_06 <-- 5_05 ! ! F 9/2 <-- 7/2 ! 43. 6 0 6 5 0 5 9 7 7 7 0.0 10829.69750 -0.00104 0.00200 10829.6985 0.0000 0.00 ! 44. 6 0 6 5 0 5 9 7 7 7 12424.0 10830.35040 -0.00093 0.00200 10830.3513 461.0019 212522.71 45. 6 0 6 5 0 5 9 5 7 5 12424.0 10829.94470 0.00150 0.00200 10829.9432 461.0019 212522.71 46. 6 0 6 5 0 5 9 3 7 3 12424.0 10829.66740 -0.00325 0.00200 10829.6707 461.0019 212522.71 47. 6 0 6 5 0 5 9 1 7 1 12424.0 10829.53170 -0.00254 0.00200 10829.5342 461.0019 212522.71 ! ! F 11/2 <--9/2 ! 48. 6 0 6 5 0 5 11 9 9 9 0.0 10829.24560 -0.00003 0.00200 10829.2456 0.0000 0.00 ! 49. 6 0 6 5 0 5 11 9 9 9 12424.0 10829.80720 0.00114 0.00200 10829.8061 461.0019 212522.71 50. 6 0 6 5 0 5 11 5 9 5 12424.0 10829.31990 0.00173 0.00200 10829.3182 461.0019 212522.71 51. 6 0 6 5 0 5 11 3 9 3 12424.0 10829.17590 -0.00244 0.00200 10829.1783 461.0019 212522.71 52. 6 0 6 5 0 5 11 1 9 1 12424.0 10829.10680 -0.00155 0.00200 10829.1083 461.0019 212522.71 Standard deviation = 0.001487 Weighted deviation = 0.743460 ITERATION NO = 1 CONSTANTS, deviations and changes: Mu.a = 1.715171719 +- 0.000628767 0.000171719 TRANSITIONS (F and MF in units of 1/2): J K K <- J K K F MF<- F MF Volts Obs Obs-Calc Error Calc Field Field**2 -1 +1 -1 +1 ! ! Transition 5_05 <-- 4_04 ! ! F 7/2 <-- 5/2 ! 1. 5 0 5 4 0 4 7 5 5 5 0.0 9056.99470 0.00012 0.00200 9056.9946 0.0000 0.00 ! 2. 5 0 5 4 0 4 7 5 5 5 2648.8 9057.03650 -0.00136 0.00200 9057.0379 98.2857 9660.08 3. 5 0 5 4 0 4 7 3 5 3 2648.8 9057.00270 0.00092 0.00200 9057.0018 98.2857 9660.08 4. 5 0 5 4 0 4 7 1 5 1 2648.8 9056.98300 -0.00074 0.00200 9056.9837 98.2857 9660.08 ! 5. 5 0 5 4 0 4 7 5 5 5 5391.1 9057.17480 0.00084 0.00200 9057.1740 200.0408 40016.33 6. 5 0 5 4 0 4 7 3 5 3 5391.1 9057.02520 0.00073 0.00200 9057.0245 200.0408 40016.33 7. 5 0 5 4 0 4 7 1 5 1 5391.1 9056.94790 -0.00177 0.00200 9056.9497 200.0408 40016.33 ! 8. 5 0 5 4 0 4 7 5 5 5 7613.9 9057.35220 -0.00041 0.00200 9057.3526 282.5195 79817.26 9. 5 0 5 4 0 4 7 3 5 3 7613.9 9057.05300 -0.00136 0.00200 9057.0544 282.5195 79817.26 10. 5 0 5 4 0 4 7 1 5 1 7613.9 9056.90400 -0.00104 0.00200 9056.9050 282.5195 79817.26 ! 11. 5 0 5 4 0 4 7 5 5 5 9251.6 9057.52160 -0.00192 0.00200 9057.5235 343.2876 117846.36 12. 5 0 5 4 0 4 7 3 5 3 9251.6 9057.08400 0.00092 0.00200 9057.0831 343.2876 117846.36 13. 5 0 5 4 0 4 7 1 5 1 9251.6 9056.86160 -0.00082 0.00200 9056.8624 343.2876 117846.36 ! 14. 5 0 5 4 0 4 7 5 5 5 10810.7 9057.71380 -0.00352 0.00200 9057.7173 401.1391 160912.61 15. 5 0 5 4 0 4 7 3 5 3 10810.7 9057.11630 0.00053 0.00200 9057.1158 401.1391 160912.61 16. 5 0 5 4 0 4 7 1 5 1 10810.7 9056.81290 -0.00129 0.00200 9056.8142 401.1391 160912.61 ! 17. 5 0 5 4 0 4 7 5 5 5 12433.5 9057.95020 -0.00119 0.00200 9057.9514 461.3544 212847.85 18. 5 0 5 4 0 4 7 3 5 3 12433.5 9057.15600 0.00054 0.00200 9057.1555 461.3544 212847.85 19. 5 0 5 4 0 4 7 1 5 1 12433.5 9056.75320 -0.00288 0.00200 9056.7561 461.3544 212847.85 ! ! F 9/2 <-- 7/2 ! 20. 5 0 5 4 0 4 9 5 7 5 0.0 9056.49480 -0.00060 0.00200 9056.4954 0.0000 0.00 ! 21. 5 0 5 4 0 4 9 7 7 7 2648.8 9056.53210 0.00135 0.00200 9056.5308 98.2857 9660.08 22. 5 0 5 4 0 4 9 5 7 5 2648.8 9056.51580 0.00676-- 0.00200 9056.5090 98.2857 9660.08 23. 5 0 5 4 0 4 9 1 7 1 2648.8 9056.48420 -0.00312 0.00200 9056.4873 98.2857 9660.08 ! 24. 5 0 5 4 0 4 9 7 7 7 5391.1 9056.64250 0.00042 0.00200 9056.6421 200.0408 40016.33 25. 5 0 5 4 0 4 9 5 7 5 5391.1 9056.55280 0.00079 0.00200 9056.5520 200.0408 40016.33 26. 5 0 5 4 0 4 9 3 7 3 5391.1 9056.49040 -0.00157 0.00200 9056.4920 200.0408 40016.33 27. 5 0 5 4 0 4 9 1 7 1 5391.1 9056.46020 -0.00175 0.00200 9056.4619 200.0408 40016.33 ! 28. 5 0 5 4 0 4 9 7 7 7 7613.9 9056.78820 -0.00038 0.00200 9056.7886 282.5195 79817.26 29. 5 0 5 4 0 4 9 5 7 5 7613.9 9056.60990 0.00128 0.00200 9056.6086 282.5195 79817.26 30. 5 0 5 4 0 4 9 3 7 3 7613.9 9056.48750 -0.00116 0.00200 9056.4887 282.5195 79817.26 31. 5 0 5 4 0 4 9 1 7 1 7613.9 9056.42740 -0.00128 0.00200 9056.4287 282.5195 79817.26 ! 32. 5 0 5 4 0 4 9 7 7 7 9251.6 9056.92910 0.00000 0.00200 9056.9291 343.2876 117846.36 33. 5 0 5 4 0 4 9 5 7 5 9251.6 9056.66400 0.00103 0.00200 9056.6630 343.2876 117846.36 34. 5 0 5 4 0 4 9 3 7 3 9251.6 9056.48520 -0.00038 0.00200 9056.4856 343.2876 117846.36 35. 5 0 5 4 0 4 9 1 7 1 9251.6 9056.39630 -0.00060 0.00200 9056.3969 343.2876 117846.36 ! 36. 5 0 5 4 0 4 9 5 7 5 10810.7 9056.72490 0.00006 0.00200 9056.7248 401.1391 160912.61 37. 5 0 5 4 0 4 9 3 7 3 10810.7 9056.48030 -0.00191 0.00200 9056.4822 401.1391 160912.61 38. 5 0 5 4 0 4 9 1 7 1 10810.7 9056.35980 -0.00111 0.00200 9056.3609 401.1391 160912.61 ! 39. 5 0 5 4 0 4 9 7 7 7 12433.5 9057.28410 0.00165 0.00200 9057.2824 461.3544 212847.85 40. 5 0 5 4 0 4 9 5 7 5 12433.5 9056.79970 -0.00020 0.00200 9056.7999 461.3544 212847.85 41. 5 0 5 4 0 4 9 3 7 3 12433.5 9056.47620 -0.00209 0.00200 9056.4783 461.3544 212847.85 42. 5 0 5 4 0 4 9 1 7 1 12433.5 9056.31720 -0.00032 0.00200 9056.3175 461.3544 212847.85 ! ! Transition 6_06 <-- 5_05 ! ! F 9/2 <-- 7/2 ! 43. 6 0 6 5 0 5 9 7 7 7 0.0 10829.69750 -0.00104 0.00200 10829.6985 0.0000 0.00 ! 44. 6 0 6 5 0 5 9 7 7 7 12424.0 10830.35040 -0.00106 0.00200 10830.3515 461.0019 212522.71 45. 6 0 6 5 0 5 9 5 7 5 12424.0 10829.94470 0.00145 0.00200 10829.9432 461.0019 212522.71 46. 6 0 6 5 0 5 9 3 7 3 12424.0 10829.66740 -0.00325 0.00200 10829.6706 461.0019 212522.71 47. 6 0 6 5 0 5 9 1 7 1 12424.0 10829.53170 -0.00251 0.00200 10829.5342 461.0019 212522.71 ! ! F 11/2 <--9/2 ! 48. 6 0 6 5 0 5 11 9 9 9 0.0 10829.24560 -0.00003 0.00200 10829.2456 0.0000 0.00 ! 49. 6 0 6 5 0 5 11 9 9 9 12424.0 10829.80720 0.00103 0.00200 10829.8062 461.0019 212522.71 50. 6 0 6 5 0 5 11 5 9 5 12424.0 10829.31990 0.00172 0.00200 10829.3182 461.0019 212522.71 51. 6 0 6 5 0 5 11 3 9 3 12424.0 10829.17590 -0.00242 0.00200 10829.1783 461.0019 212522.71 52. 6 0 6 5 0 5 11 1 9 1 12424.0 10829.10680 -0.00152 0.00200 10829.1083 461.0019 212522.71 Standard deviation = 0.001486 Weighted deviation = 0.742906 ITERATION NO = 2 CONSTANTS, deviations and changes: Mu.a = 1.715171710 +- 0.000628234 -0.000000009 TRANSITIONS (F and MF in units of 1/2): J K K <- J K K F MF<- F MF Volts Obs Obs-Calc Error Calc Field Field**2 -1 +1 -1 +1 ! ! Transition 5_05 <-- 4_04 ! ! F 7/2 <-- 5/2 ! 1. 5 0 5 4 0 4 7 5 5 5 0.0 9056.99470 0.00012 0.00200 9056.9946 0.0000 0.00 ! 2. 5 0 5 4 0 4 7 5 5 5 2648.8 9057.03650 -0.00136 0.00200 9057.0379 98.2857 9660.08 3. 5 0 5 4 0 4 7 3 5 3 2648.8 9057.00270 0.00092 0.00200 9057.0018 98.2857 9660.08 4. 5 0 5 4 0 4 7 1 5 1 2648.8 9056.98300 -0.00074 0.00200 9056.9837 98.2857 9660.08 ! 5. 5 0 5 4 0 4 7 5 5 5 5391.1 9057.17480 0.00084 0.00200 9057.1740 200.0408 40016.33 6. 5 0 5 4 0 4 7 3 5 3 5391.1 9057.02520 0.00073 0.00200 9057.0245 200.0408 40016.33 7. 5 0 5 4 0 4 7 1 5 1 5391.1 9056.94790 -0.00177 0.00200 9056.9497 200.0408 40016.33 ! 8. 5 0 5 4 0 4 7 5 5 5 7613.9 9057.35220 -0.00041 0.00200 9057.3526 282.5195 79817.26 9. 5 0 5 4 0 4 7 3 5 3 7613.9 9057.05300 -0.00136 0.00200 9057.0544 282.5195 79817.26 10. 5 0 5 4 0 4 7 1 5 1 7613.9 9056.90400 -0.00104 0.00200 9056.9050 282.5195 79817.26 ! 11. 5 0 5 4 0 4 7 5 5 5 9251.6 9057.52160 -0.00192 0.00200 9057.5235 343.2876 117846.36 12. 5 0 5 4 0 4 7 3 5 3 9251.6 9057.08400 0.00092 0.00200 9057.0831 343.2876 117846.36 13. 5 0 5 4 0 4 7 1 5 1 9251.6 9056.86160 -0.00082 0.00200 9056.8624 343.2876 117846.36 ! 14. 5 0 5 4 0 4 7 5 5 5 10810.7 9057.71380 -0.00352 0.00200 9057.7173 401.1391 160912.61 15. 5 0 5 4 0 4 7 3 5 3 10810.7 9057.11630 0.00053 0.00200 9057.1158 401.1391 160912.61 16. 5 0 5 4 0 4 7 1 5 1 10810.7 9056.81290 -0.00129 0.00200 9056.8142 401.1391 160912.61 ! 17. 5 0 5 4 0 4 7 5 5 5 12433.5 9057.95020 -0.00119 0.00200 9057.9514 461.3544 212847.85 18. 5 0 5 4 0 4 7 3 5 3 12433.5 9057.15600 0.00054 0.00200 9057.1555 461.3544 212847.85 19. 5 0 5 4 0 4 7 1 5 1 12433.5 9056.75320 -0.00288 0.00200 9056.7561 461.3544 212847.85 ! ! F 9/2 <-- 7/2 ! 20. 5 0 5 4 0 4 9 5 7 5 0.0 9056.49480 -0.00060 0.00200 9056.4954 0.0000 0.00 ! 21. 5 0 5 4 0 4 9 7 7 7 2648.8 9056.53210 0.00135 0.00200 9056.5308 98.2857 9660.08 22. 5 0 5 4 0 4 9 5 7 5 2648.8 9056.51580 0.00676-- 0.00200 9056.5090 98.2857 9660.08 23. 5 0 5 4 0 4 9 1 7 1 2648.8 9056.48420 -0.00312 0.00200 9056.4873 98.2857 9660.08 ! 24. 5 0 5 4 0 4 9 7 7 7 5391.1 9056.64250 0.00042 0.00200 9056.6421 200.0408 40016.33 25. 5 0 5 4 0 4 9 5 7 5 5391.1 9056.55280 0.00079 0.00200 9056.5520 200.0408 40016.33 26. 5 0 5 4 0 4 9 3 7 3 5391.1 9056.49040 -0.00157 0.00200 9056.4920 200.0408 40016.33 27. 5 0 5 4 0 4 9 1 7 1 5391.1 9056.46020 -0.00175 0.00200 9056.4619 200.0408 40016.33 ! 28. 5 0 5 4 0 4 9 7 7 7 7613.9 9056.78820 -0.00038 0.00200 9056.7886 282.5195 79817.26 29. 5 0 5 4 0 4 9 5 7 5 7613.9 9056.60990 0.00128 0.00200 9056.6086 282.5195 79817.26 30. 5 0 5 4 0 4 9 3 7 3 7613.9 9056.48750 -0.00116 0.00200 9056.4887 282.5195 79817.26 31. 5 0 5 4 0 4 9 1 7 1 7613.9 9056.42740 -0.00128 0.00200 9056.4287 282.5195 79817.26 ! 32. 5 0 5 4 0 4 9 7 7 7 9251.6 9056.92910 0.00000 0.00200 9056.9291 343.2876 117846.36 33. 5 0 5 4 0 4 9 5 7 5 9251.6 9056.66400 0.00103 0.00200 9056.6630 343.2876 117846.36 34. 5 0 5 4 0 4 9 3 7 3 9251.6 9056.48520 -0.00038 0.00200 9056.4856 343.2876 117846.36 35. 5 0 5 4 0 4 9 1 7 1 9251.6 9056.39630 -0.00060 0.00200 9056.3969 343.2876 117846.36 ! 36. 5 0 5 4 0 4 9 5 7 5 10810.7 9056.72490 0.00006 0.00200 9056.7248 401.1391 160912.61 37. 5 0 5 4 0 4 9 3 7 3 10810.7 9056.48030 -0.00191 0.00200 9056.4822 401.1391 160912.61 38. 5 0 5 4 0 4 9 1 7 1 10810.7 9056.35980 -0.00111 0.00200 9056.3609 401.1391 160912.61 ! 39. 5 0 5 4 0 4 9 7 7 7 12433.5 9057.28410 0.00165 0.00200 9057.2824 461.3544 212847.85 40. 5 0 5 4 0 4 9 5 7 5 12433.5 9056.79970 -0.00020 0.00200 9056.7999 461.3544 212847.85 41. 5 0 5 4 0 4 9 3 7 3 12433.5 9056.47620 -0.00209 0.00200 9056.4783 461.3544 212847.85 42. 5 0 5 4 0 4 9 1 7 1 12433.5 9056.31720 -0.00032 0.00200 9056.3175 461.3544 212847.85 ! ! Transition 6_06 <-- 5_05 ! ! F 9/2 <-- 7/2 ! 43. 6 0 6 5 0 5 9 7 7 7 0.0 10829.69750 -0.00104 0.00200 10829.6985 0.0000 0.00 ! 44. 6 0 6 5 0 5 9 7 7 7 12424.0 10830.35040 -0.00106 0.00200 10830.3515 461.0019 212522.71 45. 6 0 6 5 0 5 9 5 7 5 12424.0 10829.94470 0.00145 0.00200 10829.9432 461.0019 212522.71 46. 6 0 6 5 0 5 9 3 7 3 12424.0 10829.66740 -0.00325 0.00200 10829.6706 461.0019 212522.71 47. 6 0 6 5 0 5 9 1 7 1 12424.0 10829.53170 -0.00251 0.00200 10829.5342 461.0019 212522.71 ! ! F 11/2 <--9/2 ! 48. 6 0 6 5 0 5 11 9 9 9 0.0 10829.24560 -0.00003 0.00200 10829.2456 0.0000 0.00 ! 49. 6 0 6 5 0 5 11 9 9 9 12424.0 10829.80720 0.00103 0.00200 10829.8062 461.0019 212522.71 50. 6 0 6 5 0 5 11 5 9 5 12424.0 10829.31990 0.00172 0.00200 10829.3182 461.0019 212522.71 51. 6 0 6 5 0 5 11 3 9 3 12424.0 10829.17590 -0.00242 0.00200 10829.1783 461.0019 212522.71 52. 6 0 6 5 0 5 11 1 9 1 12424.0 10829.10680 -0.00152 0.00200 10829.1083 461.0019 212522.71 Standard deviation = 0.001486 Weighted deviation = 0.742906 ITERATION NO = 3 CONSTANTS, deviations and changes: Mu.a = 1.715171710 +- 0.000628234 0.000000000 FINAL RESULTS OF LEAST SQUARES FITTING PROCEDURE ================================================ FITTED CONSTANTS: A /MHz 5667.735 1:Xab /MHz 0. B /MHz 984.709535999999 1:XJ.a/kHz 0. C /MHz 838.869263 1:XK.a/kHz 0. DJ /kHz 0.0295294 1:XJbc/kHz 0. DJK /kHz 0.19196 1:Ma /MHz -0.00184 DK /kHz 0.989 1:Mb-c/MHz 0. dJ /kHz 0.0048723 1:Tr /MHz -0.00594 dK /kHz 0.19828 1:Xd /kHz 0. HJ / Hz 0. 1:Xbc /MHz 0. HJK / Hz 0. 1:Xac /MHz 0. HKJ / Hz 0. HK / Hz 0. hJ / Hz 0. hJK / Hz 0. Mu.a /D 1.71517(62) hK / Hz 0. Mu.b /D 0. LKKJ /mHz 0. Mu.c /D 0. 1:Xa /MHz 465.04713 d /cm 26.95 1:Xb-c/MHz -24.2384 k /cm 0. 1:X.bb /MHz -244.642765000000 1:X.cc /MHz -220.404365000000 ------------------------------------------------------------------------------