ASFIT version 1.XII.2010 _______________________________________________________________________________ CHF2Cl, 37.Cl _______________________________________________________________________________ Fit of Watson's Hamiltonian --> reduction-A, representation-I.r : A = 10233.8597572065391432261 +- 0.0002847058682061611 B = 4717.1487676873084637919 +- 0.0001297114619982711 C = 3431.8479616136937693227 +- 0.0000978122001686294 DJ = 0.0014866194844792399 +- 0.0000000404191171812 DJK = 0.0044412912311444369 +- 0.0000001294810295057 DK = 0.0051461999302210085 +- 0.0000001671067905755 dJ = 0.0004128144444300715 +- 0.0000000109288459378 dK = 0.0048712816415829871 +- 0.0000001430914756087 HJ = 0.0000000006495182661 +- 0.0000000000047329766 HJK = 0.0000000104060435176 +- 0.0000000000333987224 HKJ = -0.0000000031047441771 +- 0.0000000000948402101 HK = 0.0000000052212180067 +- 0.0000000001020378748 hJ = 0.0000000003048737110 +- 0.0000000000016443994 hJK = 0.0000000056082846430 +- 0.0000000000302737132 hK = 0.0000000943818795705 +- 0.0000000001575176918 Deviation of fit = 0.089889 Weighted deviation of fit = 0.661055 ------------------------------------------------------------------------------------------------------ TRANSITION Observed Obs-Calc Error Note Blend components ------------------------------------------------------------------------------------------------------ 1. 1 1 0 0 0 0 14950.9400 -0.0372 0.0500 2. 2 2 1 1 1 1 35418.5100 0.0158 0.0500 3. 2 2 0 1 1 0 34332.7800 0.0365 0.0500 4. 3 2 1 3 1 3 23417.6500 -0.0026 0.0500 5. 3 1 2 2 0 2 34525.4800 0.0023 0.0500 6. 4 3 2 4 2 2 28689.1900 0.0137 0.0500 7. 4 3 1 4 2 3 31550.8700 0.0111 0.0500 8. 5 3 2 5 2 4 32889.3800 -0.0416 0.0500 9. 5 1 4 4 2 2 27651.3500 -0.0340 0.0500 10. 6 1 5 5 2 3 34937.0100 0.0095 0.0500 11. 8 4 5 8 3 5 36843.6000 -0.0668 0.0500 12. 9 4 6 9 3 6 33169.8800 0.0219 0.0500 13. 10 4 7 10 3 7 28699.7600 0.0007 0.0500 14. 13 6 7 12 7 5 30621.8200 -0.0341 0.0500 15. 14 5 10 14 4 10 31976.0400 0.0168 0.0500 16. 16 8 9 15 9 7 30524.8300 0.0521 0.0500 17. 18 6 13 18 5 13 33826.5700 0.0806 0.0500 18. 19 6 14 19 5 14 26586.9300 0.0711 0.0500 19. 20 7 14 20 6 14 50789.1500 0.1289 0.0500 20. 20 6 15 20 5 15 19806.7500 0.0278 0.0500 21. 21 12 10 20 13 8 22240.8050 -0.0009 0.0500 22. 22 7 16 22 6 16 34480.9000 0.0141 0.0500 23. 23 13 10 22 14 8 26833.3000 0.0141 0.0500 24. 24 13 12 23 14 10 35700.0900 -0.0339 0.0500 25. 24 14 11 23 15 9 22619.4800 0.0276 0.0500 26.E 24 7 18 24 6 18 19265.0700 -0.1121 0.0500--excl 27. 26 15 12 25 16 10 27205.0200 0.0181 0.0500 28. 26 8 19 26 7 19 34145.7100 -0.0228 0.0500 29. 27 16 11 26 17 9 23009.9000 0.0634 0.0500 30. 28 16 13 27 17 11 31796.7900 0.0137 0.0500 31. 29 17 13 28 18 11 27589.8160 -0.0272 0.0500 32. 30 18 13 29 19 11 23408.7200 0.0152 0.0500 33. 30 9 22 30 8 22 33017.1700 0.0530 0.0500 34. 12 7 6 11 8 4 8131.3470 0.0068 0.0500 35. 12 7 5 11 8 3 8137.2000 -0.0009 0.0100 36. 6 3 3 5 4 1 8274.6220 0.0013 0.0100 37. 15 9 7 14 10 5 8517.6550 -0.0173 0.0500 38. 15 9 6 14 10 4 8517.9580 0.0147 0.0500 39. 10 3 8 10 2 8 8850.8290 0.0055 0.0100 40. 5 2 4 4 3 2 8886.4340 -0.0004 0.0100 41. 2 0 2 1 1 0 9296.4390 0.0068 0.0100 42. 3 1 2 2 2 0 9489.1670 0.0007 0.0100 43. 14 4 11 14 3 11 9521.8910 -0.0026 0.0100 44. 18 5 14 18 4 14 9594.1090 -0.0024 0.0100 45. 5 2 4 5 1 4 9924.2260 -0.0007 0.0100 46. 5 1 5 4 2 3 11626.2420 -0.0019 0.0100 47. 8 4 5 7 5 3 11753.6960 0.0011 0.0100 48. 11 6 6 10 7 4 12335.6240 0.0017 0.0500 49. 11 6 5 10 7 3 12382.0590 0.0012 0.0500 50. 9 3 7 9 2 7 12459.7360 0.0038 0.0100 51. 8 4 4 7 5 2 12467.5080 -0.0018 0.0100 52. 4 2 3 4 1 3 12494.1830 0.0040 0.0100 53. 14 8 7 13 9 5 12702.9490 -0.0014 0.0100 54. 14 8 6 13 9 4 12705.3260 -0.0038 0.0100 55. 1 1 0 0 0 0 14950.9850 0.0078 0.0100 56. 30 2 29 29 3 27 57226.0030 0.0118 0.0500 57. 46 0 46 45 1 44 57803.0090 0.0000 0.0500 58. 50 0 50 49 1 48 61580.3350 0.0012 0.0500 59. 55 0 55 54 1 53 66300.2060 0.0037 0.0500 60. 58 0 58 57 1 56 69130.6680 0.0057 0.0500 61. 60 0 60 59 1 58 71016.8780 0.0023 0.0500 62. 65 0 65 64 1 63 75729.1970 -0.0885 0.0500 63. 51 27 24 50 28 22 91466.7280 0.0214 0.0500 64. 9 8 1 9 7 3 91659.3580 -0.0732 0.0500 65. 43 5 39 42 6 37 114264.0900 0.0155 0.0500 66. 60 4 57 59 5 55 114411.0290 0.0335 0.0500 67. 49 4 45 48 5 43 119426.4640 0.0064 0.0500 68. 50 5 46 49 6 44 120305.2680 0.0244 0.0500 69. 19 5 14 18 6 12 121573.8670 0.0028 0.0500 70. 30 11 20 29 12 18 121661.6620 0.0516 0.0500 71. 30 11 19 29 12 17 122694.4530 0.0123 0.0500 72. 31 5 26 30 6 24 123704.4320 0.0078 0.0500 73. 32 5 27 31 6 25 123762.6310 0.0150 0.0500 74. 23 11 13 23 10 13 123920.9300 -0.0063 0.0500 75. 30 5 25 29 6 23 123923.1060 -0.0124 0.0500 76. 29 5 24 28 6 22 124538.2130 -0.0004 0.0500 77. 55 5 51 54 6 49 124754.7280 0.0178 0.0500 78. 35 5 30 34 6 28 124862.3210 0.0003 0.0500 79. 19 5 14 19 4 16 124871.2890 0.0186 0.0500 80. 28 5 23 27 6 21 125692.5500 0.0021 0.0500 81. 58 28 30 57 29 28 141492.8220 0.0205 0.0500 82. 39 14 26 39 13 26 141523.2540 -0.0011 0.0500 83. 52 24 28 51 25 26 141544.1140 0.0078 0.0500 84. 49 22 28 48 23 26 141723.5000 0.0053 0.0500 85. 31 13 19 31 12 19 143574.6950 -0.0099 0.0500 86. 31 13 18 31 12 20 143826.6600 0.0036 0.0500 87. 46 18 29 45 19 27 172417.2080 0.0193 0.0500 88. 46 18 28 45 19 26 172427.0980 0.0232 0.0500 89. 60 7 53 59 8 51 175657.3900 0.0174 0.0500 90. 30 9 21 29 10 19 176263.3630 0.0204 0.0500 91. 35 9 27 34 10 25 176361.7280 0.0112 0.0500 92. 40 14 27 39 15 25 176757.2210 0.0185 0.0500 93. 20 5 16 20 2 18 178388.1770 0.0263 0.0500 94. 45 17 29 44 18 27 178401.7980 0.0197 0.0500 95. 50 20 31 49 21 29 181157.9360 0.0328 0.0500 96. 50 20 30 49 21 28 181159.5050 0.0429 0.0500 97. 45 9 37 44 10 35 183866.0560 0.0620 0.0500 98. 44 8 36 43 9 34 184049.1300 0.0094 0.0500 99. 55 23 33 54 24 31 184650.3280 0.0375 0.0500 100. 50 8 42 49 9 40 185748.3960 0.0083 0.0500 101. 55 9 47 54 10 45 188555.9250 0.0473 0.0500 102. 55 8 47 54 9 45 188556.2530 -0.0052 0.0500 103. 60 26 35 59 27 33 188559.8670 0.0295 0.0500 104. 26 17 10 26 16 10 200346.9540 0.0079 0.0500 105. 62 20 42 62 19 44 200360.8330 -0.0150 0.0500 106. 53 19 34 53 18 36 200403.1800 0.0075 0.0500 107. 68 22 47 68 21 47 200450.8960 0.0265 0.0500 108. 44 18 27 44 17 27 200582.0900 0.0039 0.0500 109. 44 18 26 44 17 28 200609.6220 0.0013 0.0500 110. 25 17 9 25 16 9 200626.9710 -0.0054 0.0500 111. 61 20 41 61 19 43 200728.7680 0.0079 0.0500 112. 40 10 31 39 11 29 200748.2850 0.0419 0.0500 113. 24 17 7 24 16 9 200875.7780 -0.0124 0.0500 114. 22 4 18 22 3 20 201082.3380 -0.0293 0.0500 115. 23 17 7 23 16 7 201095.9970 -0.0060 0.0500 116. 68 30 38 67 31 36 206772.7920 0.0261 0.0500 117. 32 9 23 31 10 21 206876.2910 -0.0104 0.0500 118. 38 18 21 38 17 21 207055.9380 0.0868 0.0500 119. 57 10 48 56 11 46 207102.9070 0.1137 0.1000 120. 57 9 48 56 10 46 207104.0850 -0.0596 0.0500 121. 18 18 0 18 17 2 214171.2200 0.0681 0.0500 122. 70 9 61 69 10 59 215787.7760 -0.0287 0.0500 123. 60 21 40 60 20 40 217256.6930 -0.0105 0.0500 124. 70 23 48 70 22 48 220178.0990 0.0171 0.0500 125. 20 6 14 19 5 14 220274.4460 0.0109 0.0500 126. 59 21 39 59 20 39 220342.1370 -0.0039 0.0500 127. 27 7 21 27 4 23 220445.6160 -0.0573 0.0500 128. 38 19 20 38 18 20 220481.8870 0.0049 0.0500 129. 51 20 32 51 19 32 220539.0660 -0.0082 0.0500 130. 44 14 31 43 15 29 220548.7840 0.0104 0.0500 131. 51 20 31 51 19 33 220579.6750 -0.0212 0.0500 132. 18 4 15 17 3 15 220625.0860 0.0126 0.0500 133. 66 20 46 66 19 48 220835.0200 -0.0089 0.0500 134. 50 20 30 50 19 32 222133.9250 -0.0070 0.0500 135. 39 9 30 38 10 28 223957.5250 -0.0041 0.0500 136. 31 19 13 31 18 13 223992.4580 -0.0099 0.0500 137. 46 11 36 45 12 34 224095.9010 0.0315 0.0500 138. 65 22 43 65 21 45 224128.5600 -0.0035 0.0500 139. 18 2 16 17 1 16 224275.8240 0.0097 0.0500 140. 51 11 41 50 12 39 224279.2200 0.0056 0.0500 141. 52 11 42 51 12 40 224300.8580 0.0065 0.0500 142. 47 11 37 46 12 35 224323.2780 0.0082 0.0500 143. 30 19 12 30 18 12 224331.9970 0.0023 0.0500 144. 64 22 43 64 21 43 224360.2140 -0.0327 0.0500 145. 48 11 38 47 12 36 224377.1230 -0.0279 0.0500 146. 53 11 43 52 12 41 224379.3870 0.0094 0.0500 147. 59 23 37 58 24 35 224470.9380 0.0272 0.0500 148. 59 23 36 58 24 34 224471.8150 -0.0450 0.0500 149. 50 10 40 49 11 38 225265.6040 -0.0041 0.0500 150. 60 11 50 59 12 48 226474.3780 0.0866 0.0500 151. 60 10 50 59 11 48 226476.6060 -0.0388 0.0500 152. 45 26 20 45 25 20 307558.4090 -0.0537 0.0500 153. 64 15 50 63 16 48 307622.1020 -0.0280 0.0500 154. 65 22 43 64 23 41 307800.8290 0.0808 0.0500 155. 41 5 37 40 5 36 307890.2120 -0.0249 0.0500 156. 63 27 37 63 26 37 307905.9870 -0.0036 0.0500 157. 62 15 48 61 16 46 308587.5740 0.0090 0.0500 158. 42 26 17 42 25 17 308703.6360 -0.0068 0.0500 159. 42 3 39 41 3 38 308774.9490 -0.0065 0.0500 160. 16 15 1 15 14 1 308953.5070 -0.0174 0.0500 161. 61 15 47 60 16 45 308964.9530 -0.0051 0.0500 162. 59 15 45 58 16 43 308980.6380 -0.0339 0.0500 163. 62 27 36 62 26 36 308983.8750 -0.0173 0.0500 164. 19 13 6 18 12 6 309017.4970 -0.0298 0.0500 165. 41 26 16 41 25 16 309035.6040 -0.0066 0.0500 166. 60 15 46 59 16 44 309141.6860 0.0039 0.0500 167. 27 9 18 26 8 18 309371.2830 0.0015 0.0500 168. 36 7 29 36 6 31 309438.3300 -0.0245 0.0500 169. 26 8 19 25 7 19 309477.6940 0.0055 0.0500 170. 39 26 14 39 25 14 309632.4170 -0.0586 0.0500 171. 36 8 29 36 5 31 309744.4660 -0.0181 0.0500 172. 40 9 31 40 8 33 309796.4150 -0.0317 0.0500 173. 56 16 41 55 17 39 309850.0210 -0.0071 0.0500 174. 38 26 13 38 25 13 309899.6420 -0.0620 0.0500 175. 37 26 12 37 25 12 310147.4860 -0.1156 0.0500 176. 56 11 45 55 10 45 675103.6930 0.6032 0.5000 177. 56 12 45 55 11 45 675117.3830 0.4546 0.5000 178. 46 25 21 45 24 21 675602.2830 0.6251 0.5000 179. 34 33 1 33 32 1 675926.1450 0.4588 0.5000 180. 37 31 6 36 30 6 676064.8130 0.4996 0.5000 181. 53 21 32 52 20 32 678942.5750 0.3680 0.5000 182. 53 21 33 52 20 33 678948.5350 0.3311 0.5000 183. 36 32 4 35 31 4 680078.9200 0.4763 0.5000 184. 42 28 14 41 27 14 680175.3450 0.4057 0.5000 185. 39 30 9 38 29 9 680184.4400 0.4863 0.5000 186. 36 34 2 35 33 2 704399.8500 -0.1564 0.5000 187. 45 28 17 44 27 17 704476.4320 -0.1838 0.5000 188. 39 32 7 38 31 7 704532.0230 0.0747 0.5000 189. 80 9 71 79 10 69 223785.0000 -0.0128 0.0500 190. 79 25 55 79 24 55 217943.6210 -0.0075 0.0500 191. 75 0 75 74 1 73 85137.7680 0.0200 0.0500 192. 80 0 80 79 1 78 89832.2320 -0.0012 0.0500 193. 73 0 73 72 1 71 83258.0400 0.0162 0.0500 194. 36 6 30 35 5 30 440363.1630 0.0325 0.1000 195. 36 7 30 35 6 30 440385.6260 -0.0299 0.1000 196. 61 37 25 61 36 25 440461.1840 0.0120 0.0500 197. 70 18 52 69 19 50 440546.9020 -0.0240 0.0500 198. 60 14 46 60 13 48 440811.9260 0.0048 0.0500 199. 60 37 23 60 36 25 440831.3150 -0.0030 0.0500 200. 34 14 20 33 13 20 440884.0560 0.1172 0.1000 201. 34 14 21 33 13 21 440962.5910 -0.0097 0.0500 202. 37 8 29 36 7 29 440995.8500 0.0046 0.0500 203. 52 18 34 51 18 33 441180.5400 -0.0859 0.0500 204. 57 8 49 56 8 48 441211.0060 -0.0243 0.0500 205. 53 24 29 52 24 28 441455.8820 0.0086 0.0500 206. 58 37 21 58 36 23 441521.7910 0.0132 0.0500 207. 64 0 64 63 0 63 441529.4100 -0.0829 0.0500 208. 52 10 42 52 9 44 441597.0970 -0.0057 0.0500 209. 52 11 42 52 8 44 441615.8460 0.0297 0.0500 210. 58 7 51 57 7 50 441980.5880 0.0063 0.0500 211. 35 3 33 34 2 33 442026.7950 0.0064 0.0500 212. 56 37 20 56 36 20 442149.6760 0.0156 0.0500 213. 36 13 24 35 12 24 442165.3550 -0.0113 0.0500 214. 37 9 29 36 8 29 442232.1400 -0.0060 0.0500 215. 54 37 18 54 36 18 442719.3800 0.0124 0.0500 216. 59 7 53 58 7 52 442818.7240 -0.0082 0.0500 217. 39 10 29 38 9 29 442974.1810 0.0077 0.0500 218. 53 37 16 53 36 18 442983.8040 0.0918 0.0500 219. 54 12 43 54 9 45 443012.7190 0.0357 0.0500 220. 58 14 45 58 11 47 443220.1930 0.0430 0.0500 221. 52 37 16 52 36 16 443235.0710 0.0197 0.0500 222. 31 16 16 30 15 16 443281.5070 -0.0243 0.0500 223. 56 12 44 56 11 46 443404.0410 -0.0029 0.0500 224. 51 37 15 51 36 15 443473.8770 0.0088 0.0500 225. 56 13 44 56 10 46 443567.7140 0.0220 0.0500 226. 50 37 13 50 36 15 443700.6250 -0.0074 0.0500 227. 22 22 1 21 21 1 443712.2620 -0.0062 0.0500 228. 28 18 11 27 17 11 443823.1570 -0.0325 0.0500 229. 25 20 5 24 19 5 443841.0110 -0.0149 0.1000 230. 49 37 12 49 36 14 443915.8130 0.0120 0.0500 231. 69 19 51 69 16 53 444013.1550 0.0448 0.0500 232. 47 37 10 47 36 12 444313.1010 -0.0158 0.0500 233. 38 9 29 37 8 29 444353.1640 0.0117 0.0500 234. 46 37 10 46 36 10 444496.1040 -0.0131 0.0500 235. 61 4 57 60 4 56 444611.2480 -0.0204 0.0500 236. 35 2 34 34 1 34 444633.0280 -0.0124 0.0500 237. 45 37 8 45 36 10 444669.2050 -0.0237 0.0500 238. 52 13 39 51 13 38 444764.5960 0.0179 0.0500 239. 44 37 7 44 36 9 444832.8130 -0.0369 0.0500 240. 43 37 6 43 36 8 444987.4650 0.0965 0.1000 241. 41 12 29 40 11 29 445131.3110 0.0062 0.0500 242. 38 11 28 37 10 28 445195.1080 -0.0048 0.0500 243. 41 37 4 41 36 6 445270.5280 -0.0682 0.0500 244. 40 37 3 40 36 5 445399.9340 -0.0954 0.0500 245. 62 3 59 61 3 58 445538.8860 0.0531 0.0500 246. 38 37 2 38 36 2 445636.1770 -0.0935 0.0500 247. 54 31 23 53 31 22 445969.5390 0.0248 0.0500 248. 66 21 46 66 18 48 446338.2450 0.0829 0.0500 249. 54 30 24 53 30 23 446391.3340 -0.0559 0.0500 250. 33 15 18 32 14 18 446415.0950 -0.0052 0.0500 251. 33 15 19 32 14 19 446417.9140 0.0189 0.0500 252. 63 2 61 62 2 60 446476.1350 0.0180 0.0500 253. 55 12 44 54 12 43 446562.9940 0.0362 0.0500 254. 54 12 42 53 12 41 447050.3410 0.1277 0.1000 255. 64 2 63 63 2 62 447417.7980 0.0443 0.0500 256. 38 12 27 37 11 27 447633.9260 -0.0235 0.0500 257. 30 17 14 29 16 14 447701.6740 0.0381 0.0500 258. 69 20 49 68 21 47 447851.4890 -0.0251 0.0500 259. 24 21 4 23 20 4 447878.1940 0.0148 0.0500 260. 27 19 9 26 18 9 447945.8380 -0.0051 0.0500 261. 37 7 30 36 6 30 448116.4430 0.0361 0.0500 262. 37 8 30 36 7 30 448255.7850 -0.0031 0.0500 263. 35 14 21 34 13 21 448352.5220 -0.0003 0.0500 264. 65 0 65 64 0 64 448359.8570 0.0081 0.0500 265. 35 14 22 34 13 22 448515.1080 -0.0061 0.0500 266. 59 7 52 58 7 51 448797.8210 0.0084 0.0500 267. 38 10 29 37 9 29 449185.2960 -0.0032 0.0500 268. 37 13 25 36 12 25 449660.8470 0.0014 0.0500 269. 51 15 36 50 15 35 449810.6340 -0.0656 0.0500 270. 68 38 30 68 37 32 450115.5360 -0.0495 0.0500 271. 53 18 36 52 18 35 450139.8760 -0.0179 0.0500 272. 51 14 37 50 14 36 450390.4900 0.0009 0.0500 273. 38 13 25 37 12 25 450426.2240 0.0053 0.0500 274. 67 38 30 67 37 30 450585.8540 -0.0306 0.0500 275. 66 38 28 66 37 30 451036.4600 -0.0243 0.0500 276. 54 23 31 53 23 30 451076.9240 -0.0590 0.0500 277. 32 16 17 31 15 17 451264.8810 0.0990 0.0500 278. 62 5 58 61 5 57 451439.6480 0.0089 0.0500 279. 65 38 28 65 37 28 451468.0600 0.0119 0.0500 280. 36 4 33 35 3 33 451894.0140 0.0429 0.0500 281. 23 22 1 22 21 1 451903.6540 -0.0117 0.0500 282. 29 18 12 28 17 12 451951.7410 -0.0089 0.0500 283. 26 20 7 25 19 7 452019.0550 -0.0085 0.0500 284. 63 15 48 63 14 50 452074.6810 0.0122 0.0500 285. 63 4 60 62 4 59 452368.0950 0.0202 0.0500 286. 51 14 37 50 15 35 348189.6320 -0.0326 0.0500 287. 73 17 57 72 18 55 348638.6340 0.0586 0.0500 288. 70 17 54 69 18 52 350644.9570 -0.0258 0.0500 289. 60 16 44 60 15 46 351214.4090 0.0105 0.0500 290. 60 30 30 60 29 32 351247.7990 -0.0091 0.0500 291. 69 17 53 68 18 51 351334.1570 0.0523 0.0500 292. 59 30 29 59 29 31 351889.7200 -0.0105 0.0500 293. 68 17 52 67 18 50 351919.9710 -0.0062 0.0500 294. 67 17 51 66 18 49 352290.7680 -0.0429 0.1000 295. 58 30 28 58 29 30 352498.5040 -0.0222 0.0500 296. 57 30 27 57 29 29 353075.6570 -0.0041 0.0500 297. 70 16 54 69 17 52 353522.6130 -0.0514 0.0500 298. 56 30 27 56 29 27 353622.5330 0.0038 0.0500 299. 53 15 38 52 16 36 353911.9590 0.0250 0.0500 300. 55 30 26 55 29 26 354140.4620 0.0043 0.0500 301. 54 30 25 54 29 25 354630.7520 0.0395 0.0500 302. 53 30 24 53 29 24 355094.5130 0.0109 0.0500 303. 52 30 23 52 29 23 355532.9760 -0.0061 0.0500 304. 57 17 41 57 14 43 355834.8850 -0.0560 0.1000 305. 51 30 22 51 29 22 355947.2610 0.0021 0.0500 306. 69 16 53 68 17 51 355966.3120 0.0050 0.0500 307. 50 30 20 50 29 22 356338.4070 0.0147 0.0500 308. 61 15 46 60 16 44 356573.7910 -0.0141 0.0500 309. 70 31 39 70 30 41 356590.3940 0.0395 0.1000 310. 60 18 42 59 19 40 357811.9140 0.0166 0.0500 311. 52 17 36 52 16 36 148077.1990 -0.0181 0.0500 312. 56 18 39 56 17 39 149651.5020 0.0112 0.0500 313. 2 2 1 2 1 1 16550.0120 -0.0079 0.0100 314. 3 2 2 3 1 2 14758.0340 0.0046 0.0100 315. 3 0 3 2 1 1 15391.8880 -0.0090 0.0100 316. 5 2 3 4 3 1 14519.2960 -0.0051 0.0100 317. 6 2 5 5 3 3 15647.3940 -0.0054 0.0100 318. 7 3 5 6 4 3 14972.4860 -0.0014 0.0100 319. 8 3 6 8 2 6 16362.7820 0.0011 0.0100 320. 10 5 6 9 6 4 16540.3270 -0.0062 0.0100 321. 10 5 5 9 6 3 16857.2990 -0.0012 0.0100 322. 13 7 7 12 8 5 16941.3200 -0.0050 0.0100 323. 13 7 6 12 8 4 16960.3320 -0.0009 0.0100 324. 16 9 8 15 10 6 17286.8190 0.0005 0.0100 325. 16 9 7 15 10 5 17287.7530 -0.0122 0.0100 326. 17 5 13 17 4 13 14162.2490 -0.0039 0.0100 327. 20 12 9 19 13 7 13472.3150 -0.0014 0.0100 328. 21 6 16 21 5 16 13935.2730 0.0015 0.0100 329. 23 14 10 22 15 8 13872.5360 0.0150 0.0100 330. 25 7 19 25 6 19 13273.7140 -0.0042 0.0100 331. 26 16 10 25 17 8 14278.9240 0.0032 0.0100 332. 29 8 22 29 7 22 12336.0760 -0.0054 0.0100 333. 29 18 12 28 19 10 14690.3180 0.0032 0.0100 334. 32 9 24 32 8 24 16909.1580 -0.0054 0.0100 335. 32 20 12 31 21 10 15106.1290 -0.0017 0.0100 336. 35 22 14 34 23 12 15526.1210 0.0002 0.0100 337. 36 10 27 36 9 27 15400.3400 -0.0029 0.0100 338. 40 11 30 40 10 30 13824.8140 -0.0110 0.0100 339. 41 26 16 40 27 14 16378.4510 -0.0058 0.0100 340. 42 27 16 41 28 14 12264.0120 -0.0087 0.0100 341. 44 12 33 44 11 33 12262.7190 -0.0056 0.0100 342. 44 28 16 43 29 14 16810.9140 -0.0266 0.0500 343. 47 13 35 47 12 35 16431.4700 0.0075 0.0100 344. 47 30 17 46 31 15 17247.8100 0.0019 0.0100 345. 48 31 18 47 32 16 13141.7840 -0.0033 0.0100 346. 50 32 18 49 33 16 17689.2260 0.0026 0.0100 347. 51 14 38 51 13 38 14470.8180 0.0507 0.1000 348. 51 33 19 50 34 17 13587.4420 -0.0027 0.0100 349. 54 35 20 53 36 18 14037.8880 -0.0047 0.0100 350. 55 15 41 55 14 41 12637.3390 -0.0009 0.0100 351. 57 37 20 56 38 18 14493.3360 -0.0035 0.0100 352. 58 16 43 58 15 43 16731.0150 0.0074 0.0100 ------------------------------------------------------------------------------------------------------ Sigma = 0.089889 351 Distinct lines in fit Sigma.w = 0.661055 336 Degrees of freedom A /MHz 10233.85975(28) LJK /mHz 0.0 B /MHz 4717.14876(12) LKKJ/mHz 0.0 C /MHz 3431.847961(97) LK /mHz 0.0 DJ /kHz 1.486619(40) lJ /mHz 0.0 DJK /kHz 4.44129(12) lJK /mHz 0.0 DK /kHz 5.14619(16) lKJ /mHz 0.0 dJ /kHz 0.412814(10) lK /mHz 0.0 dK /kHz 4.87128(14) PJ /microHz 0.0 HJ / Hz 0.0006495(47) PJJK /microHz 0.0 HJK / Hz 0.010406(33) PJK /microHz 0.0 HKJ / Hz -0.003104(94) PKJ /microHz 0.0 HK / Hz 0.00522(10) PKKJ /microHz 0.0 hJ / Hz 0.0003048(16) PK /microHz 0.0 hJK / Hz 0.005608(30) pJ /microHz 0.0 hK / Hz 0.09438(15) pJJK /microHz 0.0 LJ /mHz 0.0 pJK /microHz 0.0 LJJK/mHz 0.0 pKKJ /microHz 0.0 pK /microHz 0.0 CORRELATION COEFFICIENTS, C.ij: A B C DJ DJK DK dJ dK A 1.0000 B 0.9406 1.0000 C 0.8338 0.8547 1.0000 DJ 0.8179 0.8871 0.8296 1.0000 DJK 0.7906 0.7376 0.6879 0.6763 1.0000 DK 0.6245 0.4895 0.3099 0.5050 0.2723 1.0000 dJ 0.5915 0.6846 0.2744 0.5992 0.5358 0.4514 1.0000 dK 0.0908 0.1283 0.0068 0.1400 0.1505 -0.0544 0.1167 1.0000 HJ 0.6833 0.7643 0.6760 0.9567 0.5520 0.4967 0.6078 0.1745 HJK 0.4287 0.4267 0.3644 0.4346 0.6320 0.0889 0.3551 0.3582 HKJ 0.1065 0.0708 0.1084 0.0507 0.0489 0.1273 0.0029 -0.2665 HK 0.3333 0.2704 0.1330 0.3139 0.2316 0.5607 0.3268 0.1509 hJ 0.5504 0.6463 0.3086 0.6445 0.5262 0.4201 0.9608 0.0713 hJK 0.1664 0.2153 0.0583 0.2371 0.2557 -0.0061 0.2753 0.9465 hK -0.0051 0.0083 -0.0495 -0.0093 0.0246 -0.0534 0.0268 0.3809 HJ HJK HKJ HK hJ hJK hK HJ 1.0000 HJK 0.4122 1.0000 HKJ -0.0099 -0.7100 1.0000 HK 0.3619 0.6520 -0.7027 1.0000 hJ 0.6903 0.3285 0.0379 0.3041 1.0000 hJK 0.2869 0.5070 -0.3833 0.3084 0.2484 1.0000 hK 0.0207 0.7222 -0.8336 0.5159 -0.0524 0.4226 1.0000 Mean value of |C.ij|, i.ne.j = 0.3861 Mean value of C.ij, i.ne.j = 0.3264 Distribution of values of |C.ij|, i.ne.j: 10 20 30 40 50 60 ....,....|....,....|....,....|....,....|....,....|....,....|....,.. 13 <0.05 ************* 9 <0.10 ********* 7 <0.15 ******* 4 <0.20 **** 4 <0.25 **** 7 <0.30 ******* 8 <0.35 ******** 6 <0.40 ****** 6 <0.45 ****** 3 <0.50 *** 5 <0.55 ***** 5 <0.60 ***** 5 <0.65 ***** 7 <0.70 ******* 4 <0.75 **** 2 <0.80 ** 4 <0.85 **** 2 <0.90 ** 2 <0.95 ** 2 <1.00 ** _______________________________________________________________________________ MOST INFLUENTIAL TRANSITIONS: Observed Obs-Calc hjj >0.500 189. 80 9 71 79 10 69 223785.0000 -0.0128 0.6797 192. 80 0 80 79 1 78 89832.2320 -0.0012 0.6061 190. 79 25 55 79 24 55 217943.6210 -0.0075 0.5983 351. 57 37 20 56 38 18 14493.3360 -0.0035 0.5529 mean of all values = 0.0427 WORST FITTING LINES (line number=(o-c)/error): 19= 2.6 175= -2.3 277= 2.0 244= -1.9 246= -1.9 218= 1.8 62= -1.8 _______________________________________________________________________________