SYMF version 6.IV.2001 ------------------------------------------------------------------------------- 3 x 37Cl 1,1,1-trichloroethane, ------------------------------------------------------------------------------- Fit of symmetric top Hamiltonian with splitting terms: B.z = 1619.0299999999999727152 B = 2277.4458417068885864865 +- 0.0004845557535572290 DJ = 0.0003949892092208910 +- 0.0000001250502351757 DJK = -0.0003604330237786324 +- 0.0000000430333293295 HJ = 0.0000000001440071105 +- 0.0000000000106905615 HJK = -0.0000000003989000000 HKJ = 0.0000000005052000000 Deviation of fit = 0.082600 Weighted deviation of fit = 0.793177 ------------------------------------------------------------------------------- J'' K Observed Calc Obs-Calc Error ------------------------------------------------------------------------------- 1. 5 0 27328.8000 27329.0088 -0.2088 0.3500 2. 6 0 31884.0160 31883.6999 0.3161 0.3500 3. 7 0 36438.6800 36438.3246 0.3554 0.3500 4. 8 0 40993.3700 40992.8734 0.4966 0.3500 5. 26 0- 3 122951.0490 122951.0576 -0.0086 0.0500 6. 35 0- 3 163902.5760 163902.5290 0.0470 0.0500 7. 39 0- 3 182094.7370 182094.7392 -0.0022 0.0500 8. 40 0- 3 186642.1430 186641.8700 0.2730 0.2500 9. 48 0- 3 223004.2030 223004.1792 0.0238 0.0500 10. 48 11 223008.3380 223008.3083 0.0297 0.0500 11. 48 15 223011.9570 223011.9641 -0.0071 0.0500 12. 48 16 223013.0580 223013.0540 0.0040 0.0500 13. 48 20 223018.1200 223018.1181 0.0019 0.0500 14. 48 21 223019.4990 223019.5603 -0.0613 0.0500 15. 48 22 223021.0260 223021.0731 -0.0471 0.0500 16. 48 23 223022.6350 223022.6564 -0.0214 0.0500 17. 62 14 286572.8170 286572.7957 0.0213 0.0500 18. 62 15 286574.1450 286574.1019 0.0431 0.0500 19. 62 19 286580.1700 286580.2291 -0.0591 0.0500 20. 62 20 286582.0420 286581.9866 0.0554 0.0500 21. 62 21 286583.7670 286583.8344 -0.0674 0.0500 22. 62 22 286585.7120 286585.7726 -0.0606 0.0500 23. 67 0- 2 309237.1680 309237.1827 -0.0147 0.0500 24. 67 4 309237.9460 309237.8781 0.0679 0.0500 25. 67 6 309238.8600 309238.8485 0.0115 0.0500 26. 67 7 309239.4880 309239.4793 0.0087 0.0500 27. 67 8 309240.2000 309240.2072 -0.0072 0.0500 28. 67 9 309241.0240 309241.0322 -0.0082 0.0500 29. 67 10 309241.9540 309241.9542 -0.0002 0.0500 30. 67 11 309242.9540 309242.9734 -0.0194 0.0500 31. 67 12 309244.0200 309244.0897 -0.0697 0.0500 32. 67 13 309245.2830 309245.3032 -0.0202 0.0500 33. 67 14 309246.6070 309246.6138 -0.0068 0.0500 34. 67 15 309248.0400 309248.0217 0.0183 0.0500 35. 67 16 309249.5470 309249.5267 0.0203 0.0500 36. 67 17 309251.1150 309251.1290 -0.0140 0.0500 37. 67 18 309252.8250 309252.8286 -0.0036 0.0500 38. 67 19 309254.5820 309254.6255 -0.0435 0.0500 39. 67 20 309256.5400 309256.5197 0.0203 0.0500 40. 67 21 309258.5170 309258.5113 0.0057 0.0500 41. 67 22 309260.5940 309260.6002 -0.0062 0.0500 42. 67 23 309262.7990 309262.7867 0.0123 0.0500 43. 67 24 309265.0390 309265.0705 -0.0315 0.0500 44. 67 25 309267.4680 309267.4519 0.0161 0.0500 45. 67 26 309269.9360 309269.9308 0.0052 0.0500 46. 67 27 309272.4510 309272.5074 -0.0564 0.0500 47. 67 28 309275.2010 309275.1815 0.0195 0.0500 48. 67 29 309277.9570 309277.9534 0.0036 0.0500 49. 67 30 309280.8360 309280.8230 0.0130 0.0500 50. 67 32 309286.8460 309286.8555 -0.0095 0.0500 51. 67 33 309290.0120 309290.0185 -0.0065 0.0500 52. 67 35 309296.6710 309296.6385 0.0325 0.0500 53. 67 37 309303.6210 309303.6506 -0.0296 0.0500 54. 67 38 309307.3070 309307.3039 0.0031 0.0500 55. 67 39 309311.0570 309311.0554 0.0016 0.0500 56. 67 40 309314.8090 309314.9052 -0.0962 0.0500 57. 67 41 309318.8640 309318.8534 0.0106 0.0500 58. 67 42 309322.8250 309322.8999 -0.0749 0.0500 59. 67 44 309331.2930 309331.2886 0.0044 0.0500 60. 67 45 309335.6440 309335.6309 0.0131 0.0500 61. 67 47 309344.6630 309344.6116 0.0514 0.0500 62. 67 48 309349.3410 309349.2502 0.0908 0.0500 63. 67 49 309353.9550 309353.9877 -0.0327 0.0500 64. 66 0- 2 304703.8050 304703.7966 0.0084 0.0500 65. 66 6 304705.4040 304705.4384 -0.0344 0.0500 66. 66 7 304706.0810 304706.0601 0.0209 0.0500 67. 66 8 304706.7890 304706.7775 0.0115 0.0500 68. 66 11 304709.5750 304709.5039 0.0711 0.0500 69. 66 12 304710.6210 304710.6041 0.0169 0.0500 70. 66 15 304714.4590 304714.4794 -0.0204 0.0500 71. 66 16 304715.9890 304715.9628 0.0262 0.0500 72. 66 17 304717.6000 304717.5420 0.0580 0.0500 73. 66 18 304719.2130 304719.2171 -0.0041 0.0500 74. 66 19 304720.9450 304720.9880 -0.0430 0.0500 75. 66 21 304724.8030 304724.8178 -0.0148 0.0500 76. 66 23 304728.9920 304729.0316 -0.0396 0.0500 77. 66 24 304731.3480 304731.2826 0.0654 0.0500 78. 66 25 304733.6410 304733.6297 0.0113 0.0500 79. 66 26 304736.0240 304736.0729 -0.0489 0.0500 80. 66 27 304738.6320 304738.6123 0.0197 0.0500 81. 66 28 304741.2980 304741.2479 0.0501 0.0500 82. 66 29 304744.0090 304743.9798 0.0292 0.0500 83. 66 30 304746.8280 304746.8080 0.0200 0.0500 84. 66 31 304749.7270 304749.7326 -0.0056 0.0500 85. 66 32 304752.8190 304752.7536 0.0654 0.0500 86. 66 34 304759.0450 304759.0851 -0.0401 0.0500 87. 66 37 304769.2740 304769.3068 -0.0328 0.0500 88. 66 38 304772.8930 304772.9074 -0.0144 0.0500 89. 66 40 304780.4100 304780.3992 0.0108 0.0500 90. 66 41 304784.3470 304784.2905 0.0565 0.0500 91. 66 43 304792.3450 304792.3640 -0.0190 0.0500 92. 66 44 304796.5040 304796.5465 -0.0425 0.0500 93. 66 45 304800.8310 304800.8262 0.0048 0.0500 94. 66 47 304809.7350 304809.6775 0.0575 0.0500 95. 66 48 304814.3250 304814.2492 0.0758 0.0500 96. 66 49 304818.8600 304818.9185 -0.0585 0.0500 97. 72 0- 2 331894.3160 331894.3408 -0.0248 0.0500 98. 72 12 331901.8320 331901.7440 0.0880 0.0500 99. 72 13 331903.0300 331903.0447 -0.0147 0.0500 100. 72 14 331904.4070 331904.4495 -0.0425 0.0500 101. 72 16 331907.6160 331907.5716 0.0444 0.0500 102. 72 17 331909.3310 331909.2890 0.0420 0.0500 103. 72 21 331917.1670 331917.2016 -0.0346 0.0500 104. 72 22 331919.4610 331919.4406 0.0204 0.0500 105. 72 28 331934.9980 331935.0695 -0.0715 0.0500 106. 72 29 331938.0120 331938.0404 -0.0284 0.0500 107. 72 31 331944.3530 331944.2967 0.0563 0.0500 108. 72 34 331954.4170 331954.4676 -0.0506 0.0500 109. 72 36 331961.7600 331961.7733 -0.0133 0.0500 110. 72 37 331965.5460 331965.5838 -0.0378 0.0500 111. 72 38 331969.4590 331969.4996 -0.0406 0.0500 112. 72 39 331973.5310 331973.5206 0.0104 0.0500 113. 72 40 331977.6700 331977.6470 0.0230 0.0500 114. 72 41 331981.9090 331981.8788 0.0302 0.0500 ------------------------------------------------------------------------------- Sigma = 0.082600 114 Transitions in fit Sigma.w = 0.793177 110 Degrees of freedom B.z /MHz 1619.03 LJK /microHz 0. B /MHz 2277.44584(48) LKKJ/microHz 0. LK /microHz 0. DJ /kHz 0.39498(12) l1 /microHz 0. DJK /kHz -0.360433(43) l2 /microHz 0. DK /kHz 0. l3 /microHz 0. d1 /kHz 0. l4 /microHz 0. d2 /kHz 0. PJ /nHz 0. HJ /mHz 0.144(10) PJJK /nHz 0. HJK /mHz -0.3989 PJK /nHz 0. HKJ /mHz 0.5052 PKJ /nHz 0. HK /mHz 0. PKKJ /nHz 0. h1 /mHz 0. PK /nHz 0. h2 /mHz 0. p1 /nHz 0. h3 /mHz 0. p2 /nHz 0. LJ /microHz 0. p3 /nHz 0. LJJK/microHz 0. p4 /nHz 0. p5 /nHz 0. CORRELATION COEFFICIENTS: B DJ DJK HJ B 1.0000 DJ 0.9649 1.0000 DJK -0.0772 -0.1099 1.0000 HJ 0.9037 0.9832 -0.0795 1.0000 -------------------------------------------------------------------------------