ASFIT version 1.XII.2010 _______________________________________________________________________________ PYRIMIDINE, cmw Caminati+ ftmw, mmw IFPAN _______________________________________________________________________________ Fit of Watson's Hamiltonian --> reduction-A, representation-I.r : A = 6276.8270067884268428315 +- 0.0002029249509729178 B = 6067.1671642813789731008 +- 0.0001960992523254410 C = 3084.4489747259749492514 +- 0.0001785583189307793 DJ = 0.0007880465022262530 +- 0.0000001516375453460 DJK = -0.0002689055287874190 +- 0.0000002761971167123 DK = 0.0008853957933551079 +- 0.0000004309936248884 dJ = 0.0003318461857255415 +- 0.0000000402193318059 dK = 0.0006554333580522061 +- 0.0000001901844264937 HJ = 0.0000000003008561380 +- 0.0000000000355259835 HKJ = -0.0000000022274016556 +- 0.0000000006404559975 HK = 0.0000000025555339134 +- 0.0000000009421517589 hJ = 0.0000000001833954016 +- 0.0000000000108576798 hJK = 0.0000000002838077642 +- 0.0000000000532062385 hK = 0.0000000011422386785 +- 0.0000000003194816597 Deviation of fit = 0.065086 Weighted deviation of fit = 0.710741 ------------------------------------------------------------------------------------------------------ TRANSITION Observed Obs-Calc Error Note Blend components ------------------------------------------------------------------------------------------------------ 1. 4 3 1 4 2 2 8393.3376 -0.0012 0.0020 2. 3 2 1 3 1 2 8693.5875 -0.0014 0.0020 3. 2 1 1 2 0 2 8958.7893 -0.0012 0.0020 4. 1 1 1 0 0 0 9361.2753 0.0002 0.0020 5. 2 2 1 2 1 2 9577.1094 -0.0004 0.0020 6. 3 3 1 3 2 2 9898.0688 0.0003 0.0020 7. 4 4 1 4 3 2 10329.3947 0.0011 0.0020 8. 5 5 1 5 4 2 10873.0347 0.0020 0.0100 9. 6 4 2 6 3 3 14945.5528 -0.0025 0.0100 10. 5 3 2 5 2 3 15175.3803 -0.0012 0.0100 11. 2 0 2 1 1 1 15309.8346 -0.0009 0.0020 12. 4 2 2 4 1 3 15316.8958 -0.0005 0.0020 13. 3 1 2 3 0 3 15391.3505 -0.0003 0.0020 14. 3 2 2 3 1 3 15444.1676 0.0002 0.0020 15. 2 1 2 1 0 1 15530.1649 -0.0004 0.0020 16. 7 6 2 7 5 3 15777.9073 0.0072 0.1000 17. 3 3 1 2 2 0 34569.2300 0.1012 0.1000 18. 3 3 0 2 2 1 39857.8900 -0.1350 0.1000 19. 3 2 2 2 1 1 28083.7500 -0.0067 0.1000 20. 4 2 2 3 3 1 39327.4700 -0.2364 0.1000 21. 4 1 3 3 2 2 33908.7100 -0.1686 0.1000 22. 4 2 3 3 1 2 33964.4600 0.0506 0.1000 23. 4 0 4 3 1 3 27761.0800 -0.2051 0.1000 24. 4 1 4 3 0 3 27761.4200 -0.2138 0.1000 25. 5 0 5 4 1 4 33930.2100 -0.0299 0.1000 26. 7 5 2 7 4 3 14615.5200 0.0143 0.1000 27. 7 4 4 7 3 5 27740.9800 0.1392 0.1000 28. 7 3 4 7 2 5 27739.4100 0.0274 0.1000 29. 8 5 4 8 4 5 27718.9800 0.0112 0.1000 30. 8 4 4 8 3 5 27714.6800 0.0499 0.1000 31.B 8 4 5 8 3 6 33916.9400 B 0.0517 0.1000 1.0E+00 33916.9186 32.B 8 3 5 8 2 6 33916.9400 B 0.0517 0.1000 1.0E+00 33916.8581 33. 9 6 4 9 5 5 27689.2400 0.1263 0.1000 34. 9 5 4 9 4 5 27678.0700 0.1182 0.1000 35.B 9 5 5 9 4 6 33899.3800 B 0.0388 0.1000 1.0E+00 33899.4466 36.B 9 4 5 9 3 6 33899.3800 B 0.0388 0.1000 1.0E+00 33899.2359 37. 10 6 4 10 5 5 27624.8000 0.0046 0.1000 38. 11 8 4 11 7 5 27603.1600 0.0828 0.1000 39. 11 7 5 11 6 6 33844.2300 0.0012 0.1000 40. 11 6 5 11 5 6 33842.6700 0.1013 0.1000 41. 12 8 5 12 7 6 33803.9000 0.0497 0.1000 42. 12 7 5 12 6 6 33799.8100 -0.0497 0.1000 43. 13 10 4 13 9 5 27487.8600 0.1722 0.1000 44. 13 9 4 13 8 5 27292.6000 0.0389 0.1000 45. 13 9 5 13 8 6 33753.3200 0.0716 0.1000 46. 13 8 5 13 7 6 33744.4600 0.0794 0.1000 47. 14 10 5 14 9 6 33691.4000 0.0514 0.1000 48. 14 9 5 14 8 6 33672.9500 0.0449 0.1000 49. 15 12 4 15 11 5 27371.5100 0.2123 0.1000 50. 15 11 4 15 10 5 26807.0800 0.0090 0.1000 51. 15 11 5 15 10 6 33617.5000 0.0519 0.1000 52. 15 10 5 15 9 6 33581.2100 -0.0026 0.1000 53. 15 10 6 15 9 7 39915.0500 0.2395 0.1000 54. 15 9 6 15 8 7 39913.6300 0.1597 0.1000 55. 16 12 5 16 11 6 33531.4800 0.0348 0.1000 56. 16 11 5 16 10 6 33463.7100 -0.0105 0.1000 57. 16 11 6 16 10 7 39857.1400 0.2864 0.1000 58. 16 10 6 16 9 7 39854.1900 0.2504 0.1000 59. 17 13 5 17 12 6 33434.0900 -0.0249 0.1000 60. 17 12 5 17 11 6 33313.0200 -0.0207 0.1000 61. 17 12 6 17 11 7 39787.7700 0.1804 0.1000 62. 17 11 6 17 10 7 39781.7800 0.2007 0.1000 63. 18 14 5 18 13 6 33327.4900 0.0787 0.1000 64. 18 13 5 18 12 6 33119.5000 -0.0048 0.1000 65. 18 13 6 18 12 7 39706.0200 0.1589 0.1000 66. 18 12 6 18 11 7 39694.1400 0.1102 0.1000 67. 19 16 4 19 15 5 27404.4000 -0.0439 0.1000 68. 19 15 5 19 14 6 33214.8000 0.0309 0.1000 69. 19 14 5 19 13 6 32870.8000 0.0419 0.1000 70. 19 14 6 19 13 7 39610.8400 0.1708 0.1000 71. 19 13 6 19 12 7 39588.4200 0.0897 0.1000 72. 20 20 0 20 19 1 29653.9800 0.0443 0.1000 73. 20 20 1 20 19 2 29874.8000 0.0473 0.1000 74. 20 16 5 20 15 6 33101.4300 0.0651 0.1000 75. 20 15 5 20 14 6 32551.6400 0.0234 0.1000 76. 20 15 6 20 14 7 39501.4400 0.1329 0.1000 77. 20 14 6 20 13 7 39460.7700 0.0798 0.1000 78. 21 21 0 21 20 1 31351.6000 -0.0309 0.1000 79. 21 21 1 21 20 2 31502.9300 0.0649 0.1000 80. 21 18 4 21 17 5 27751.1400 0.0118 0.1000 81. 21 17 5 21 16 6 32994.3700 0.0797 0.1000 82. 21 15 6 21 14 7 39306.4400 0.2505 0.1000 83. 22 22 0 22 21 1 33035.5600 0.0025 0.1000 84. 22 22 1 22 21 2 33138.1100 -0.1307 0.1000 85. 22 18 5 22 17 6 32902.4100 -0.1859 0.1000 86. 22 17 5 22 16 6 31630.9700 0.0745 0.1000 87. 23 23 0 23 22 1 34709.2100 -0.0620 0.1000 88. 23 23 1 23 22 2 34778.5900 0.1301 0.1000 89. 23 22 1 23 21 2 29883.0100 0.0360 0.1000 90. 23 22 2 23 21 3 30893.2600 0.1371 0.1000 91. 23 19 5 23 18 6 32837.0800 -0.0909 0.1000 92. 23 18 5 23 17 6 30994.1300 -0.0142 0.1000 93. 24 24 1 24 23 2 36421.7700 -0.0084 0.1000 94. 24 23 1 24 22 2 31745.0900 -0.0067 0.1000 95. 24 23 2 24 22 3 32478.4500 0.0610 0.1000 96. 24 22 3 24 21 4 29207.1900 0.0141 0.1000 97. 24 21 4 24 20 5 28972.1600 0.2331 0.1000 98. 24 20 5 24 19 6 32810.4200 -0.0271 0.1000 99. 24 19 5 24 18 6 30223.8000 -0.0196 0.1000 100. 24 18 6 24 17 7 38607.3000 0.0097 0.1000 101. 25 24 1 25 23 2 33563.3000 0.0612 0.1000 102. 25 24 2 25 23 3 34088.6000 0.0942 0.1000 103. 25 23 3 25 22 4 30515.7100 -0.0457 0.1000 104. 25 22 4 25 21 5 29602.8900 -0.0105 0.1000 105. 25 21 5 25 20 6 32835.9000 -0.0366 0.1000 106. 25 20 5 25 19 6 29320.9300 -0.0120 0.1000 107. 25 19 6 25 18 7 38259.9100 0.0048 0.1000 108. 26 25 2 26 24 3 35716.9900 0.0071 0.1000 109. 26 24 2 26 23 3 28766.3100 -0.0135 0.1000 110. 26 24 3 26 23 4 31903.7800 -0.1056 0.1000 111. 26 23 4 26 22 5 30353.9200 0.0062 0.1000 112. 26 22 5 26 21 6 32927.6500 0.0139 0.1000 113. 26 21 5 26 20 6 28302.7900 0.0222 0.1000 114. 26 21 6 26 20 7 38596.8800 0.0647 0.1000 115. 26 20 6 26 19 7 37830.8000 -0.0219 0.1000 116. 27 26 1 27 25 2 37097.8300 -0.0074 0.1000 117. 27 26 2 27 25 3 37358.5900 0.0072 0.1000 118. 27 25 2 27 24 3 30921.1000 -0.1537 0.1000 119. 27 25 3 27 24 4 33360.1600 -0.1772 0.1000 120. 27 24 4 27 23 5 31225.3100 -0.0305 0.1000 121. 27 23 5 27 22 6 33099.2800 -0.0696 0.1000 122. 27 22 6 27 21 7 38438.2000 0.1483 0.1000 123. 27 21 6 27 20 7 37301.9500 -0.0002 0.1000 124. 28 26 2 28 25 3 33014.6200 -0.1113 0.1000 125. 28 24 5 28 23 6 33363.9500 -0.0367 0.1000 126. 28 23 6 28 22 7 38296.1400 -0.1415 0.1000 127. 28 22 6 28 21 7 36654.7900 0.0288 0.1000 128. 29 27 2 29 26 3 35041.1000 -0.0523 0.1000 129. 29 27 3 29 26 4 36434.2900 0.1927 0.1000 130. 29 26 4 29 25 5 33316.3900 -0.0137 0.1000 131. 29 25 5 29 24 6 33732.8400 -0.0564 0.1000 132. 29 24 6 29 23 7 38182.6800 -0.0541 0.1000 133. 29 23 6 29 22 7 35873.2800 0.0093 0.1000 134. 30 28 2 30 27 3 37003.0700 0.0173 0.1000 135. 30 28 3 30 27 4 38031.1800 0.0741 0.1000 136. 30 27 4 30 26 5 34523.0400 -0.0616 0.1000 137. 30 26 5 30 25 6 34215.2400 -0.0466 0.1000 138. 30 25 6 30 24 7 38110.0500 -0.0467 0.1000 139. 30 24 6 30 23 7 34948.4500 0.0257 0.1000 140. 31 28 3 31 27 4 30979.6200 -0.0693 0.1000 141. 31 28 4 31 27 5 35825.1600 -0.0561 0.1000 142. 31 27 5 31 26 6 34817.7600 -0.0097 0.1000 143. 31 26 6 31 25 7 38092.0700 -0.0061 0.1000 144. 31 25 6 31 24 7 33883.3100 0.0070 0.1000 145. 32 29 3 32 28 4 33323.2100 -0.0148 0.1000 146. 32 29 4 32 28 5 37211.9000 -0.1023 0.1000 147. 32 28 5 32 27 6 35544.0500 -0.0105 0.1000 148. 32 27 6 32 26 7 38142.7800 -0.0516 0.1000 149. 32 26 6 32 25 7 32697.8500 0.0082 0.1000 150. 33 30 3 33 29 4 35615.7800 -0.0071 0.1000 151. 33 30 4 33 29 5 38671.9700 -0.0856 0.1000 152. 33 29 5 33 28 6 36394.8600 0.0158 0.1000 153. 33 28 6 33 27 7 38276.2900 -0.0351 0.1000 154. 33 27 6 33 26 7 31431.4300 0.0155 0.1000 155. 34 31 3 34 30 4 37836.7100 -0.0751 0.1000 156. 34 30 5 34 29 6 37367.7800 -0.0368 0.1000 157. 34 29 6 34 28 7 38505.6200 -0.0197 0.1000 158. 34 28 6 34 27 7 30142.0900 0.0093 0.1000 159. 35 31 4 35 30 5 30262.3300 -0.0020 0.1000 160. 35 31 5 35 30 6 38457.8800 -0.0153 0.1000 161. 36 32 4 36 31 5 32724.4900 0.0843 0.1000 162. 37 33 4 37 32 5 35225.1000 -0.0462 0.1000 163. 37 30 7 37 29 8 38334.2500 -0.0010 0.1000 164. 38 34 4 38 33 5 37709.3800 0.0314 0.1000 165. 38 31 7 38 30 8 36991.3700 0.0125 0.1000 166. 39 34 5 39 33 6 29333.0100 -0.0081 0.1000 167. 39 32 7 39 31 8 35565.4900 0.0514 0.1000 168. 40 35 5 40 34 6 31623.5000 0.0783 0.1000 169. 40 33 7 40 32 8 34118.1200 0.0260 0.1000 170. 41 36 5 41 35 6 34103.7200 0.0023 0.1000 171. 42 37 5 42 36 6 36698.4500 0.0190 0.1000 172. 42 35 7 42 34 8 31473.9600 0.0485 0.1000 173. 43 36 7 43 35 8 30446.6600 -0.0730 0.1000 174. 44 38 6 44 37 7 30740.2100 -0.0265 0.1000 175. 44 37 7 44 36 8 29721.9000 0.0178 0.1000 176. 45 39 6 45 38 7 32852.3900 -0.0160 0.1000 177. 45 38 7 45 37 8 29363.7400 0.0192 0.1000 178. 46 40 6 46 39 7 35245.5100 0.1463 0.1000 179. 46 39 7 46 38 8 29420.2500 0.0226 0.1000 180. 46 38 8 46 37 9 38023.8000 0.0477 0.1000 181. 47 41 6 47 40 7 37843.1100 0.0309 0.1000 182. 47 40 7 47 39 8 29921.4400 -0.0082 0.1000 183. 47 39 8 47 38 9 36485.5800 -0.1477 0.1000 184. 48 41 7 48 40 8 30878.6400 0.0395 0.1000 185. 48 40 8 48 39 9 35097.0500 0.0509 0.1000 186. 49 42 7 49 41 8 32283.0300 -0.0230 0.1000 187. 49 41 8 49 40 9 33947.0900 0.0222 0.1000 188. 50 43 7 50 42 8 34105.5200 0.1275 0.1000 189. 50 42 8 50 41 9 33117.8600 -0.0219 0.1000 190. 51 44 7 51 43 8 36295.6500 -0.0171 0.1000 191. 52 44 8 52 43 9 32677.8000 -0.0240 0.1000 192. 53 45 8 53 44 9 33149.8900 0.0031 0.1000 193. 54 46 8 54 45 9 34105.5200 -0.2084 0.1000 194. 54 45 9 54 44 10 38668.3600 -0.0073 0.1000 195. 55 47 8 55 46 9 35536.0100 0.0110 0.1000 196. 55 46 9 55 45 10 37399.3000 0.0222 0.1000 197. 56 48 8 56 47 9 37409.4500 -0.0298 0.1000 198. 56 47 9 56 46 10 36468.2600 0.0219 0.1000 199. 57 48 9 57 47 10 35947.5500 0.0469 0.1000 200. 58 49 9 58 48 10 35891.1800 0.0135 0.1000 201. 59 50 9 59 49 10 36333.0800 0.0276 0.1000 202. 60 51 9 60 50 10 37285.6000 0.0064 0.1000 203. 27 1 27 26 0 26 169635.6470 0.0041 0.0500 /pasmo II 204. 26 2 25 25 1 24 169637.9830 0.0090 0.0500 205. 25 3 23 24 2 22 169640.0770 0.0070 0.0500 206. 24 4 21 23 3 20 169642.0610 0.0031 0.0500 207. 23 5 19 22 4 18 169644.1250 0.0077 0.0500 208. 22 6 17 21 5 16 169646.5450 0.0084 0.0500 209. 21 7 15 20 6 14 169649.8650 0.0170 0.0500 210. 20 8 13 19 7 12 169655.2020 0.0272 0.0500 211. 19 9 11 18 8 10 169665.2760 0.0139 0.0500 212. 18 10 9 17 9 8 169688.1250 0.0048 0.0500 213. 17 11 7 16 10 6 169755.6940 0.0168 0.0500 214. 17 10 7 16 11 6 169752.4890 0.0045 0.0500 215. 16 11 5 15 12 4 169716.5730 -0.0095 0.0500 216. 13 11 2 12 10 3 169984.0960 0.0499 0.0500 217. 28 1 28 27 0 27 175803.3760 0.0068 0.0500 /pasmo II 218. 27 2 26 26 1 25 175805.7010 0.0139 0.0500 219. 26 3 24 25 2 23 175807.7680 0.0156 0.0500 220. 25 4 22 24 3 21 175809.7020 0.0164 0.0500 221. 24 5 20 23 4 19 175811.6700 0.0190 0.0500 222. 23 6 18 22 5 17 175813.9110 0.0094 0.0500 223. 22 7 16 21 6 15 175816.8810 0.0016 0.0500 224. 21 8 14 20 7 13 175821.4510 -0.0129 0.0500 225. 20 9 12 19 8 11 175829.6460 -0.0093 0.0500 226. 19 10 10 18 9 9 175846.7850 0.0214 0.0500 227. 18 11 8 17 10 7 175890.1800 -0.0936 0.0500 228. 17 11 6 16 12 5 176002.5970 -0.0216 0.0500 229. 17 12 6 16 11 5 176079.5510 0.0047 0.0500 230. 29 1 28 29 0 29 175865.5620 -0.0174 0.0500 /pasmo Q 231. 30 2 28 30 1 29 175852.9980 -0.0081 0.0500 232. 31 3 28 31 2 29 175839.7470 0.0252 0.0500 233. 32 4 28 32 3 29 175825.6680 -0.0300 0.0500 234. 34 6 28 34 5 29 175795.3000 -0.0110 0.0500 235. 35 7 28 35 6 29 175778.8970 0.0115 0.0500 236. 36 8 28 36 7 29 175761.5990 0.0036 0.0500 237. 37 9 28 37 8 29 175743.4090 0.0019 0.0500 238. 38 10 28 38 9 29 175724.2810 -0.0049 0.0500 239. 39 11 28 39 10 29 175704.1940 -0.0022 0.0500 240. 40 12 28 40 11 29 175683.0990 -0.0024 0.0500 241. 41 13 28 41 12 29 175660.9540 -0.0099 0.0500 242. 42 14 28 42 13 29 175637.8410 0.0959 0.0500 243. 43 15 28 43 14 29 175613.3930 -0.0123 0.0500 244. 44 16 28 44 15 29 175587.9020 -0.0020 0.0500 245. 45 17 28 45 16 29 175561.1990 -0.0003 0.0500 246. 46 18 28 46 17 29 175533.2520 0.0034 0.0500 247. 47 19 28 47 18 29 175504.0110 0.0029 0.0500 248. 48 20 28 48 19 29 175473.4390 0.0061 0.0500 249. 36 1 36 35 0 35 225141.8610 0.0009 0.0500 /pasmo II 250. 35 2 34 34 1 33 225144.0850 0.0058 0.0500 251. 34 3 32 33 2 31 225145.9130 -0.0039 0.0500 252. 33 4 30 32 3 29 225147.4800 0.0133 0.0500 253. 32 5 28 31 4 27 225148.8520 0.0160 0.0500 254. 31 6 26 30 5 25 225150.1730 0.0175 0.0500 255. 30 7 24 29 6 23 225151.6150 0.0191 0.0500 256. 29 8 22 28 7 21 225153.4200 0.0201 0.0500 257. 28 9 20 27 8 19 225155.9600 0.0154 0.0500 258. 27 10 18 26 9 17 225159.8710 0.0003 0.0500 259. 26 11 16 25 10 15 225166.3610 -0.0102 0.0500 260. 25 12 14 24 11 13 225177.9100 0.0136 0.0500 261. 24 13 12 23 12 11 225200.0710 -0.0117 0.0500 262. 23 14 10 22 13 9 225248.0060 0.0474 0.0500 263. 22 15 8 21 14 7 225373.4680 -0.0130 0.0500 264. 22 14 8 21 15 7 225369.2900 -0.0095 0.0500 265. 21 15 6 20 16 5 225488.8220 -0.0002 0.0500 266. 23 18 6 22 17 5 251693.8480 -0.0077 0.0500 267. 28 1 27 28 0 28 169695.7380 0.0038 0.0500 /pasmo Q 268. 29 2 27 29 1 28 169683.6930 -0.0097 0.0500 269. 30 3 27 30 2 28 169670.9430 -0.0092 0.0500 270. 31 4 27 31 3 28 169657.4740 0.0224 0.0500 271. 32 5 27 32 4 28 169643.1530 -0.0157 0.0500 272. 33 6 27 33 5 28 169628.0810 0.0105 0.0500 273. 34 7 27 34 6 28 169612.1210 -0.0015 0.0500 274. 35 8 27 35 7 28 169595.2950 0.0054 0.0500 275. 36 9 27 36 8 28 169577.5210 -0.0141 0.0500 276. 37 10 27 37 9 28 169558.8240 0.0023 0.0500 277. 38 11 27 38 10 28 169539.1050 -0.0056 0.0500 278. 39 12 27 39 11 28 169518.3550 -0.0071 0.0500 279. 40 13 27 40 12 28 169496.5370 0.0016 0.0500 280. 41 14 27 41 13 28 169473.5380 -0.0506 0.0500 281. 42 15 27 42 14 28 169449.4820 0.0036 0.0500 282. 43 16 27 43 15 28 169424.1660 0.0054 0.0500 283. 44 17 27 44 16 28 169397.5880 -0.0019 0.0500 284. 45 18 27 45 17 28 169369.7130 -0.0067 0.0500 285. 46 19 27 46 18 28 169340.4960 -0.0062 0.0500 286. 47 20 27 47 19 28 169309.8830 -0.0055 0.0500 287. 48 21 27 48 20 28 169277.8320 0.0036 0.0500 288. 49 22 27 49 21 28 169244.2930 0.0225 0.0500 289. 50 23 27 50 22 28 169209.1320 -0.0303 0.0500 290. 51 24 27 51 23 28 169172.4510 0.0011 0.0500 291. 52 25 27 52 24 28 169134.0730 -0.0051 0.0500 292. 37 1 36 37 0 37 225220.3570 -0.0076 0.0500 /pasmo Q 293. 38 2 36 38 1 37 225202.7050 0.0073 0.0500 294. 39 3 36 39 2 37 225184.3850 0.0384 0.0500 295. 40 4 36 40 3 37 225165.2760 -0.0181 0.0500 296. 42 6 36 42 5 37 225125.0410 0.0266 0.0500 297. 43 7 36 43 6 37 225103.7870 0.0366 0.0500 298. 44 8 36 44 7 37 225081.6250 -0.0868 0.0500 299. 45 9 36 45 8 37 225058.8750 -0.0042 0.0500 300. 46 10 36 46 9 37 225035.2280 -0.0045 0.0500 301. 47 11 36 47 10 37 225010.7580 0.0065 0.0500 302. 48 12 36 48 11 37 224985.4180 0.0028 0.0500 303. 49 13 36 49 12 37 224959.1930 -0.0093 0.0500 304. 50 14 36 50 13 37 224932.0850 -0.0060 0.0500 305. 51 15 36 51 14 37 224904.0630 0.0040 0.0500 306. 52 16 36 52 15 37 224875.1060 0.0224 0.0500 307. 53 17 36 53 16 37 224845.1380 -0.0034 0.0500 308. 54 18 36 54 17 37 224814.1800 -0.0287 0.0500 309. 55 19 36 55 18 37 224782.2490 -0.0124 0.0500 310. 56 20 36 56 19 37 224749.2840 0.0093 0.0500 311. 57 21 36 57 20 37 224715.2100 -0.0134 0.0500 312. 58 22 36 58 21 37 224680.0720 -0.0098 0.0500 313. 59 23 36 59 22 37 224643.8280 0.0043 0.0500 314. 60 24 36 60 23 37 224606.4350 0.0126 0.0500 315. 61 25 36 61 24 37 224567.8580 0.0074 0.0500 316. 62 26 36 62 25 37 224528.0920 0.0114 0.0500 317. 63 27 36 63 26 37 224487.0750 -0.0091 0.0500 318. 12 10 3 11 7 4 169601.7690 -0.0513 0.0500 /b.R 3,-1 319. 12 9 4 11 6 5 175519.6080 -0.0763 0.0500 /b.R 3,-1 320. 16 13 4 15 10 5 224526.3230 0.0068 0.0500 /b.R 3,-1 321. 17 14 3 16 13 4 224842.2690 0.0349 0.0500 /b.R 1,-1 322. 15 10 6 14 7 7 224906.2010 0.0322 0.0500 /b.R 3,-1 323. 15 9 6 14 8 7 224904.8920 0.1075 0.0500 /b.R 1,-1 324. 14 6 8 13 5 9 225112.5000 -0.0460 0.0500 /b.R 1,-1 325. 48 1 48 47 0 47 299136.0050 0.0049 0.0500 /pasmo II 326. 47 2 46 46 1 45 299138.0820 -0.0053 0.0500 327. 46 3 44 45 2 43 299139.5980 -0.0174 0.0500 328. 45 4 42 44 3 41 299140.6220 -0.0438 0.0500 329.B 42 7 36 41 6 35 299141.8570 B -0.0194 0.0500 1.0E+00 299141.8403 330.B 41 8 34 40 7 33 299141.8570 B -0.0194 0.0500 1.0E+00 299141.9125 331. 38 11 28 37 10 27 299143.1750 0.0373 0.0500 332. 37 12 26 36 11 25 299144.6300 -0.0101 0.0500 333. 36 13 24 35 12 23 299147.3010 -0.0176 0.0500 334. 35 14 22 34 13 21 299151.8360 -0.0274 0.0500 335. 34 15 20 33 14 19 299159.4070 -0.0131 0.0500 336. 33 16 18 32 15 17 299172.0100 -0.0081 0.0500 337. 32 17 16 31 16 15 299193.5120 -0.0116 0.0500 338. 31 18 14 30 17 13 299231.9570 -0.0115 0.0500 339. 30 19 12 29 18 11 299306.0000 -0.0087 0.0500 340. 29 19 10 28 20 9 299466.0250 -0.0132 0.0500 341. 29 20 10 28 19 9 299466.8210 0.0226 0.0500 342. 24 23 1 23 22 2 298794.1570 -0.0111 0.0500 343. 24 23 2 23 22 1 298675.7430 0.0049 0.0500 344. 20 12 8 19 11 9 298810.0530 0.0079 0.0500 345. 50 2 48 50 1 49 299209.0810 -0.0212 0.0500 /pasmo Q 346. 51 3 48 51 2 49 299180.6360 0.0125 0.0500 347. 53 5 48 53 4 49 299121.5000 0.0087 0.0500 348. 62 14 48 62 13 49 298817.5200 0.0087 0.0500 349. 63 15 48 63 14 49 298779.7010 0.0064 0.0500 350. 64 16 48 64 15 49 298741.0320 0.0040 0.0500 351. 65 17 48 65 16 49 298701.4940 -0.0055 0.0500 352. 66 18 48 66 17 49 298661.0890 -0.0080 0.0500 353. 27 24 3 26 23 4 335986.8240 -0.0028 0.0500 /b.R -3,3 354. 54 1 54 53 0 53 336125.5700 0.0343 0.0500 355. 53 2 52 52 1 51 336127.5610 -0.0032 0.0500 356. 52 3 50 51 2 49 336128.9410 -0.0057 0.0500 357. 40 15 26 39 14 25 336131.4130 -0.0049 0.0500 358. 39 16 24 38 15 23 336136.1460 0.0017 0.0500 359. 38 17 22 37 16 21 336144.0130 -0.0040 0.0500 360. 37 18 20 36 17 19 336156.8630 -0.0157 0.0500 361. 36 19 18 35 18 17 336178.0070 -0.0092 0.0500 362. 35 20 16 34 19 15 336213.7240 0.0032 0.0500 363. 34 21 14 33 20 13 336277.1520 0.0276 0.0500 364. 33 22 12 32 21 11 336399.0060 0.0070 0.0500 365. 27 26 2 26 25 1 336350.5430 0.0146 0.0500 366. 27 26 1 26 25 2 336385.0590 0.0095 0.0500 367. 21 9 12 20 8 13 336087.6050 -0.0526 0.0500 368. 25 20 5 24 19 6 336488.0140 -0.0057 0.0500 369. 22 12 10 21 11 11 335907.7350 -0.0034 0.0500 370. 55 1 54 55 0 55 336236.7400 0.0287 0.0500 /pasmo Q 371. 56 2 54 56 1 55 336202.8000 -0.0069 0.0500 372. 57 3 54 57 2 55 336168.1580 -0.0031 0.0500 373. 58 4 54 58 3 55 336132.7550 -0.0117 0.0500 374. 59 5 54 59 4 55 336096.5950 -0.0213 0.0500 375. 60 6 54 60 5 55 336059.6990 -0.0033 0.0500 376. 61 7 54 61 6 55 336022.0310 0.0140 0.0500 377. 62 8 54 62 7 55 335983.5710 0.0183 0.0500 378. 63 9 54 63 8 55 335944.3030 0.0018 0.0500 ------------------------------------------------------------------------------------------------------ Sigma = 0.065086 375 Distinct lines in fit Sigma.w = 0.710741 361 Degrees of freedom A /MHz 6276.82700(20) LJK /mHz 0.0 B /MHz 6067.16716(19) LKKJ/mHz 0.0 C /MHz 3084.44897(17) LK /mHz 0.0 DJ /kHz 0.78804(15) lJ /mHz 0.0 DJK /kHz -0.26890(27) lJK /mHz 0.0 DK /kHz 0.88539(43) lKJ /mHz 0.0 dJ /kHz 0.331846(40) lK /mHz 0.0 dK /kHz 0.65543(19) PJ /microHz 0.0 HJ / Hz 0.000300(35) PJJK /microHz 0.0 HJK / Hz 0.0 PJK /microHz 0.0 HKJ / Hz -0.00222(64) PKJ /microHz 0.0 HK / Hz 0.00255(94) PKKJ /microHz 0.0 hJ / Hz 0.000183(10) PK /microHz 0.0 hJK / Hz 0.000283(53) pJ /microHz 0.0 hK / Hz 0.00114(31) 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 0.6708 1.0000 C 0.7340 0.7398 1.0000 DJ 0.5789 0.8228 0.7712 1.0000 DJK 0.0730 -0.0469 -0.0241 -0.1670 1.0000 DK 0.2132 -0.0952 0.0007 -0.0261 -0.7898 1.0000 dJ -0.0017 0.4355 -0.1206 0.3215 -0.2511 0.0213 1.0000 dK -0.0936 0.1085 0.0262 0.1692 0.4832 -0.6889 0.1174 1.0000 HJ 0.4444 0.6952 0.6306 0.9314 -0.0112 -0.1927 0.3425 0.3020 HKJ 0.0309 -0.0320 -0.0009 -0.1282 0.9573 -0.7963 -0.2433 0.5563 HK 0.0142 0.0053 -0.0006 0.0928 -0.9390 0.8534 0.1949 -0.6101 hJ -0.0230 0.3669 -0.0628 0.3078 0.0257 -0.2397 0.8846 0.3029 hJK -0.1230 0.1261 0.0303 0.2576 0.0140 -0.3517 0.2440 0.8384 hK -0.0046 0.0032 -0.0003 -0.0859 0.9227 -0.8215 -0.1589 0.5909 HJ HKJ HK hJ hJK hK HJ 1.0000 HKJ 0.0363 1.0000 HK -0.0834 -0.9920 1.0000 hJ 0.4463 0.0535 -0.1134 1.0000 hJK 0.3240 0.1012 -0.1755 0.2953 1.0000 hK 0.1111 0.9713 -0.9775 0.1857 0.1242 1.0000 Mean value of |C.ij|, i.ne.j = 0.3228 Mean value of C.ij, i.ne.j = 0.1146 Distribution of values of |C.ij|, i.ne.j: 10 20 30 40 50 60 ....,....|....,....|....,....|....,....|....,....|....,....|....,.. 22 <0.05 ********************** 8 <0.10 ******** 10 <0.15 ********** 7 <0.20 ******* 4 <0.25 **** 3 <0.30 *** 6 <0.35 ****** 2 <0.40 ** 3 <0.45 *** 1 <0.50 * 0 <0.55 3 <0.60 *** 2 <0.65 ** 3 <0.70 *** 2 <0.75 ** 3 <0.80 *** 3 <0.85 *** 2 <0.90 ** 3 <0.95 *** 4 <1.00 **** _______________________________________________________________________________ There are no influential transitions with hjj > 0.500 mean of all values = 0.0372 WORST FITTING LINES (line number=(o-c)/error): 57= 2.9 82= 2.5 58= 2.5 53= 2.4 20= -2.4 97= 2.3 323= 2.2 _______________________________________________________________________________