ASFIT version 29.V.2015 _______________________________________________________________________________ CF3CCl3 = CFC113a, 1x37Cl lowest excited vibrational state _______________________________________________________________________________ Fit of Watson's Hamiltonian --> reduction-A, representation-I.r : A = 1307.9973902721819740691 +- 0.0149706617223473951 B = 1105.5038584666308452142 +- 0.0004519208888908521 C = 1092.7027860407929438225 +- 0.0004936542581704376 DJ = 0.0000554315839097456 +- 0.0000000160993122119 DJK = 0.0000201541391406454 +- 0.0000000894049473683 DK = -0.0000252600000000000 dJ = 0.0000008905667898190 +- 0.0000000123062566876 dK = 0.0000314311177334187 +- 0.0000009414704866000 Deviation of fit = 0.054547 Weighted deviation of fit = 1.090949 ------------------------------------------------------------------------------------------------------ TRANSITION Observed Obs-Calc Error Note Blend components ------------------------------------------------------------------------------------------------------ 1. 70 11 59 69 11 58 154275.8575 0.0578 0.0500 2. 70 12 59 69 12 58 154043.9056 0.0619 0.0500 3. 70 13 58 69 13 57 154025.9725 -0.0278 0.0500 4. 70 15 55 69 15 54 153966.9615 0.0381 0.0500 ! 5. 81 2 79 80 2 78 177166.3013 -0.0038 0.0500 6. 81 3 78 80 3 77 177271.6383 -0.0719 0.0500 7. 81 4 77 80 4 76 177377.6457 -0.0045 0.0500 8. 81 5 76 80 5 75 177484.4512 0.0108 0.0500 9. 81 8 74 80 8 73 177702.6959 0.0379 0.0500 10. 81 13 68 80 13 67 178477.8594 0.0038 0.0500 11. 81 13 69 80 13 68 178226.2540 -0.0663 0.0500 12. 81 14 68 80 14 67 178235.1275 -0.0611 0.0500 13. 81 16 65 80 16 64 178174.2720 -0.1082 0.0500 14. 81 16 66 80 16 65 178171.1417 -0.0052 0.0500 15.B 81 18 63 80 18 62 178115.6446 B -0.0020 0.0500 2.2E-05 178115.6659 16.B 81 18 64 80 18 63 178115.6446 B -0.0020 0.0500 2.2E-05 178115.6272 17. 81 19 62 80 19 61 178095.8228 0.0452 0.0500 18. 81 20 61 80 20 60 178079.4137 -0.0340 0.0500 19. 81 21 60 80 21 59 178065.7755 0.0057 0.0500 20. 81 23 58 80 23 57 178044.1014 -0.0323 0.0500 21. 81 24 57 80 24 56 178035.3953 -0.0401 0.0500 22. 81 25 56 80 25 55 178027.7398 -0.0692 0.0500 23. 81 26 55 80 26 54 178021.1162 0.0446 0.0500 24. 81 28 53 80 28 52 178009.7302 0.0124 0.0500 25. 81 29 52 80 29 51 178004.8943 0.0006 0.0500 26. 81 30 51 80 30 50 178000.5515 0.0205 0.0500 27. 81 31 50 80 31 49 177996.5147 -0.0522 0.0500 28. 81 32 49 80 32 48 177992.9583 0.0094 0.0500 29. 81 33 48 80 33 47 177989.6124 -0.0208 0.0500 30. 81 34 47 80 34 46 177986.6516 0.0691 0.0500 31. 81 35 46 80 35 45 177983.7292 -0.0359 0.0500 32. 81 36 45 80 36 44 177981.1037 -0.0501 0.0500 33. 81 37 44 80 37 43 177978.7040 -0.0213 0.0500 34. 81 38 43 80 38 42 177976.4428 -0.0165 0.0500 35. 81 39 42 80 39 41 177974.2880 -0.0505 0.0500 36. 81 40 41 80 40 40 177972.3462 -0.0011 0.0500 37. 81 41 40 80 41 39 177970.4605 -0.0118 0.0500 38. 81 42 39 80 42 38 177968.7101 0.0083 0.0500 39. 81 43 38 80 43 37 177966.9900 -0.0353 0.0500 40. 81 44 37 80 44 36 177965.4337 0.0000 0.0500 41. 81 45 36 80 45 35 177963.9866 0.0680 0.0500 42. 81 46 35 80 46 34 177962.5864 0.1136 0.0500 43. 81 47 34 80 47 33 177961.0809 -0.0089 0.0500 44. 81 48 33 80 48 32 177959.7096 -0.0542 0.0500 45. 81 49 32 80 49 31 177958.5777 0.0880 0.0500 46. 81 53 28 80 53 27 177953.7437 -0.0786 0.0500 47. 81 54 27 80 54 26 177952.7146 -0.0299 0.0500 48. 81 56 25 80 56 24 177950.8191 0.1444 0.0500 ! 49. 88 2 86 87 2 85 192431.8668 0.0222 0.0500 50. 88 3 85 87 3 84 192537.1203 -0.0019 0.0500 51. 88 4 84 87 4 83 192642.8102 -0.0108 0.0500 52. 88 5 83 87 5 82 192749.1988 0.0209 0.0500 53. 88 6 82 87 6 81 192856.5153 -0.0097 0.0500 54. 88 7 81 87 7 80 192965.2591 -0.0865 0.0500 55. 88 9 80 87 9 79 193076.3471 -0.0120 0.0500 56. 88 10 78 87 10 77 193312.5977 0.0978 0.0500 57. 88 11 77 87 11 76 193452.3467 0.0028 0.0500 58. 88 12 77 87 12 76 193431.0719 0.0652 0.0500 59.B 88 15 74 87 15 73 193626.4936 B 0.1247 0.0500 2.4E-05 193626.5166 60.B 88 16 72 87 16 71 193626.4936 B 0.1247 0.0500 2.4E-05 193626.2206 61. 88 14 75 87 14 74 193613.5953 -0.0604 0.0500 62. 88 17 71 87 17 70 193564.0328 0.0249 0.0500 63. 88 17 72 87 17 71 193559.5338 -0.0053 0.0500 64. 88 18 70 87 18 69 193525.9939 0.0448 0.0500 65.B 88 19 69 87 19 68 193497.8436 B -0.0221 0.0500 2.3E-05 193497.8960 66.B 88 19 70 87 19 69 193497.8436 B -0.0221 0.0500 2.3E-05 193497.8353 67. 88 20 68 87 20 67 193475.5390 -0.0169 0.0500 68. 88 21 67 87 21 66 193457.1701 0.0158 0.0500 69. 88 22 66 87 22 65 193441.7162 0.0312 0.0500 70. 88 23 65 87 23 64 193428.4200 -0.0640 0.0500 71. 88 24 64 87 24 63 193417.0485 -0.0349 0.0500 72. 88 25 63 87 25 62 193407.1045 -0.0344 0.0500 73. 88 26 62 87 26 61 193398.3612 -0.0297 0.0500 74. 88 27 61 87 27 60 193390.6178 -0.0205 0.0500 75. 88 29 59 87 29 58 193377.4665 -0.0513 0.0500 76. 88 30 58 87 30 57 193371.9151 -0.0054 0.0500 77. 88 31 57 87 31 56 193366.8750 0.0286 0.0500 78. 88 32 56 87 32 55 193362.1792 -0.0465 0.0500 79. 88 33 55 87 33 54 193357.9912 -0.0088 0.0500 80. 88 35 53 87 35 52 193350.5100 -0.0349 0.0500 81. 88 36 52 87 36 51 193347.3241 0.0862 0.0500 82. 88 37 51 87 37 50 193344.1407 -0.0283 0.0500 83. 88 38 50 87 38 49 193341.2318 -0.0800 0.0500 84. 88 39 49 87 39 48 193338.6314 -0.0119 0.0500 85. 88 40 48 87 40 47 193336.0593 -0.0843 0.0500 86. 88 41 47 87 41 46 193333.6695 -0.1256 0.0500 87. 88 42 46 87 42 45 193331.4451 -0.1378 0.0500 88. 88 43 45 87 43 44 193329.5110 0.0179 0.0500 89. 88 45 43 87 45 42 193325.5781 -0.0568 0.0500 90. 88 47 41 87 47 40 193322.1757 0.0356 0.0500 91. 88 49 39 87 49 38 193318.9568 0.0120 0.0500 92. 88 50 38 87 50 37 193317.5608 0.1178 0.0500 93. 88 52 36 87 52 35 193314.5995 -0.0041 0.0500 94. 88 53 35 87 53 34 193313.2794 0.0229 0.0500 95. 88 54 34 87 54 33 193311.8880 -0.0644 0.0500 96. 88 55 33 87 55 32 193310.6797 -0.0078 0.0500 97. 88 58 30 87 58 29 193307.0846 -0.0114 0.0500 98. 88 60 28 87 60 27 193304.8052 -0.0384 0.0500 ! 99. 92 2 90 91 2 89 201152.5576 0.0078 0.0500 100. 92 3 89 91 3 88 201257.7754 0.0093 0.0500 101. 92 4 88 91 4 87 201363.3816 0.0287 0.0500 102. 92 5 87 91 5 86 201469.4394 -0.0754 0.0500 103. 92 6 86 91 6 85 201576.6116 0.0794 0.0500 104. 92 8 84 91 8 83 201794.8982 -0.0152 0.0500 105. 92 11 81 91 11 80 202153.0743 0.0127 0.0500 106. 92 13 80 91 13 79 202267.0842 -0.1420 0.0500 107. 92 15 78 91 15 77 202417.6252 -0.0340 0.0500 108. 92 16 77 91 16 76 202410.6362 0.0485 0.0500 109. 92 17 76 91 17 75 202373.9004 -0.1163 0.0500 110. 92 18 74 91 18 73 202336.8829 -0.0631 0.0500 111. 92 20 72 91 20 71 202274.9692 -0.0353 0.0500 112. 92 21 71 91 21 70 202253.1981 0.0035 0.0500 113. 92 22 70 91 22 69 202235.0186 -0.0064 0.0500 114. 92 23 69 91 23 68 202219.5908 -0.0258 0.0500 115. 92 24 68 91 24 67 202206.3244 -0.0471 0.0500 116. 92 25 67 91 25 66 202194.9033 0.0430 0.0500 117. 92 26 66 91 26 65 202184.7088 -0.0547 0.0500 118. 92 27 65 91 27 64 202175.9033 0.0663 0.0500 119. 92 28 64 91 28 63 202167.8891 -0.0016 0.0500 120. 92 29 63 91 29 62 202160.7321 -0.0410 0.0500 121. 92 30 62 91 30 61 202154.3486 -0.0140 0.0500 122. 92 31 61 91 31 60 202148.5043 -0.0554 0.0500 123. 92 32 60 91 32 59 202143.3288 0.0466 0.0500 124. 92 33 59 91 33 58 202138.5464 0.0846 0.0500 125. 92 34 58 91 34 57 202134.0912 0.0499 0.0500 126. 92 35 57 91 35 56 202130.0073 0.0351 0.0500 127. 92 36 56 91 36 55 202126.1038 -0.1091 0.0500 128. 92 37 55 91 37 54 202122.6976 -0.0305 0.0500 129. 92 38 54 91 38 53 202119.4769 -0.0105 0.0500 130. 92 40 52 91 40 51 202113.6439 0.0084 0.0500 131. 92 42 50 91 42 49 202108.4529 -0.0308 0.0500 132. 92 43 49 91 43 48 202106.1837 0.0561 0.0500 133. 92 44 48 91 44 47 202103.9591 0.0601 0.0500 134. 92 46 46 91 46 45 202099.8366 0.0596 0.0500 135. 92 47 45 91 47 44 202097.8255 -0.0376 0.0500 136. 92 49 43 91 49 42 202094.2767 -0.0099 0.0500 137. 92 50 42 91 50 41 202092.6122 0.0031 0.0500 138. 92 53 39 91 53 38 202087.9766 0.0303 0.0500 139. 92 54 38 91 54 37 202086.4887 -0.0094 0.0500 140. 92 56 36 91 56 35 202083.7376 0.0029 0.0500 141. 92 59 33 91 59 32 202079.9565 0.0870 0.0500 142. 92 62 30 91 62 29 202076.3533 0.0826 0.0500 ! 143. 93 2 91 92 2 90 203332.4383 0.0047 0.0500 144. 93 3 90 92 3 89 203437.6459 0.0104 0.0500 145. 93 4 89 92 4 88 203543.2196 0.0231 0.0500 146. 93 5 88 92 5 87 203649.3455 0.0312 0.0500 147. 93 6 87 92 6 86 203756.3000 0.0419 0.0500 148. 93 8 85 92 8 84 203974.3595 0.0417 0.0500 149.B 93 9 84 92 9 83 204086.8249 B -0.0169 0.0500 2.4E-05 204086.8738 150.B 93 10 84 92 10 83 204086.8249 B -0.0169 0.0500 2.4E-05 204086.8096 151. 93 14 80 92 14 79 204552.6832 -0.0302 0.0500 152.B 93 15 79 92 15 78 204612.1339 B 0.1151 0.0500 2.4E-05 204611.8373 153.B 93 16 78 92 16 77 204612.1339 B 0.1151 0.0500 2.4E-05 204612.2012 154. 93 17 76 92 17 75 204598.4141 0.1303 0.0500 155. 93 18 75 92 18 74 204540.7166 0.0985 0.0500 156. 93 18 76 92 18 75 204537.3163 -0.1197 0.0500 157. 93 21 73 92 21 72 204452.2952 -0.0507 0.0500 158. 93 22 71 92 22 70 204433.4658 0.0312 0.0500 159. 93 23 70 92 23 69 204417.3328 -0.0899 0.0500 160. 93 24 69 92 24 68 204403.6292 -0.0477 0.0500 161. 93 25 68 92 25 67 204391.7936 0.0512 0.0500 162. 93 26 67 92 26 66 204381.2650 -0.0177 0.0500 163. 93 27 66 92 27 65 204371.9846 -0.0570 0.0500 164. 93 28 65 92 28 64 204363.8120 -0.0075 0.0500 165. 93 29 64 92 29 63 204356.4637 0.0051 0.0500 166. 93 30 63 92 30 62 204349.8066 -0.0248 0.0500 167. 93 31 62 92 31 61 204343.8574 0.0229 0.0500 168. 93 32 61 92 32 60 204338.3953 0.0128 0.0500 169. 93 33 60 92 33 59 204333.3603 -0.0441 0.0500 170. 93 34 59 92 34 58 204328.8449 0.0044 0.0500 171. 93 35 58 92 35 57 204324.6357 -0.0049 0.0500 172. 93 36 57 92 36 56 204320.7281 -0.0335 0.0500 173. 93 37 56 92 37 55 204317.1677 0.0009 0.0500 174. 93 38 55 92 38 54 204313.7942 -0.0305 0.0500 175. 93 39 54 92 39 53 204310.7691 0.0613 0.0500 176. 93 40 53 92 40 52 204307.7949 0.0026 0.0500 177. 93 41 52 92 41 51 204305.0922 0.0349 0.0500 178. 93 43 50 92 43 49 204300.1210 0.0628 0.0500 179. 93 44 49 92 44 48 204297.8018 0.0379 0.0500 180. 93 45 48 92 45 47 204295.5252 -0.0637 0.0500 181. 93 46 47 92 46 46 204293.6233 0.1011 0.0500 182. 93 47 46 92 47 45 204291.5723 0.0184 0.0500 183. 93 50 43 92 50 42 204286.2213 0.0679 0.0500 184. 93 51 42 92 51 41 204284.5459 0.0485 0.0500 185. 93 52 41 92 52 40 204283.0318 0.1285 0.0500 186. 93 53 40 92 53 39 204281.3933 0.0277 0.0500 187. 93 54 39 92 54 38 204279.9751 0.0955 0.0500 188. 93 57 36 92 57 35 204275.7812 0.0911 0.0500 189. 93 61 32 92 61 31 204270.5615 -0.0415 0.0500 190. 93 64 29 92 64 28 204267.0132 -0.0545 0.0500 191. 93 65 28 92 65 27 204265.9512 0.0199 0.0500 ! ! 192. 97 2 95 96 2 94 212050.7651 0.0058 0.0500 193. 97 3 94 96 3 93 212155.8734 -0.0340 0.0500 194. 97 4 93 96 4 92 212261.3215 -0.0519 0.0500 195. 97 5 92 96 5 91 212367.3206 -0.0093 0.0500 196. 97 6 91 96 6 90 212474.0234 0.0153 0.0500 197. 97 7 90 96 7 89 212581.8013 0.0756 0.0500 198. 97 9 89 96 9 88 212691.0542 0.1197 0.0500 199. 97 10 88 96 10 87 212802.3244 0.0222 0.0500 200. 97 11 87 96 11 86 212916.7836 -0.0476 0.0500 201. 97 11 86 96 11 85 213037.4035 -0.0328 0.0500 202.B 97 12 86 96 12 85 213035.7499 B -0.0712 0.0500 2.4E-05 213035.8224 203.B 97 66 31 96 66 30 213035.7499 B -0.0712 0.0500 2.3E-05 213035.8196 204. 97 15 83 96 15 82 213372.3049 0.0735 0.0500 205. 97 15 82 96 15 81 213707.1013 0.0422 0.0500 206. 97 16 82 96 16 81 213408.3374 0.0487 0.0500 207. 97 17 81 96 17 80 213390.6450 -0.0085 0.0500 208. 97 18 80 96 18 79 213350.1278 0.0852 0.0500 209. 97 19 78 96 19 77 213311.5054 -0.0021 0.0500 210. 97 22 75 96 22 74 213227.4146 -0.0470 0.0500 211. 97 23 74 96 23 73 213208.7813 -0.0148 0.0500 212. 97 25 72 96 25 71 213179.1326 0.0332 0.0500 213. 97 26 71 96 26 70 213167.0645 -0.0109 0.0500 214. 97 27 70 96 27 69 213156.5108 0.0284 0.0500 215. 97 28 69 96 28 68 213147.1221 0.0425 0.0500 216. 97 29 68 96 29 67 213138.7221 0.0437 0.0500 217. 97 30 67 96 30 66 213131.1448 0.0170 0.0500 218. 97 31 66 96 31 65 213124.3050 -0.0007 0.0500 219. 97 32 65 96 32 64 213118.0937 -0.0185 0.0500 220. 97 33 64 96 33 63 213112.4510 -0.0131 0.0500 221. 97 34 63 96 34 62 213107.2530 -0.0393 0.0500 222. 97 36 61 96 36 60 213098.1984 0.0458 0.0500 223. 97 37 60 96 37 59 213094.0312 -0.0615 0.0500 224. 97 38 59 96 38 58 213090.3679 0.0458 0.0500 225. 97 39 58 96 39 57 213086.7836 -0.0257 0.0500 226. 97 40 57 96 40 56 213083.5546 0.0274 0.0500 227. 97 43 54 96 43 53 213074.8867 0.0472 0.0500 228. 97 45 52 96 45 51 213069.8421 0.0086 0.0500 229. 97 46 51 96 46 50 213067.5286 0.0057 0.0500 230. 97 47 50 96 47 49 213065.3896 0.0649 0.0500 231. 97 49 48 96 49 47 213061.3371 0.1106 0.0500 232. 97 51 46 96 51 45 213057.5027 0.0335 0.0500 233. 97 52 45 96 52 44 213055.6773 -0.0231 0.0500 234. 97 53 44 96 53 43 213054.0757 0.0790 0.0500 235. 97 54 43 96 54 42 213052.3128 -0.0394 0.0500 236. 97 55 42 96 55 41 213050.7149 -0.0475 0.0500 237. 97 56 41 96 56 40 213049.1670 -0.0555 0.0500 238. 97 59 38 96 59 37 213044.9551 0.0914 0.0500 239. 97 60 37 96 60 36 213043.5351 0.0491 0.0500 240. 97 62 35 96 62 34 213040.9462 0.1202 0.0500 241. 97 64 33 96 64 32 213038.2157 -0.0607 0.0500 242. 97 67 30 96 67 29 213034.5567 -0.0646 0.0500 243. 97 72 25 96 72 24 213028.8373 -0.0315 0.0500 244. 97 74 23 96 74 22 213026.5971 -0.0578 0.0500 ! 245. 101 2 99 100 2 98 220767.0285 -0.0597 0.0500 246. 101 3 98 100 3 97 220872.1811 -0.0062 0.0500 247. 101 4 97 100 4 96 220977.5939 0.0251 0.0500 248. 101 5 96 100 5 95 221083.3844 -0.0006 0.0500 249. 101 6 95 100 6 94 221189.8841 0.0481 0.0500 250. 101 7 94 100 7 93 221297.2317 0.0394 0.0500 251. 101 8 93 100 8 92 221405.8643 0.0351 0.0500 252.B 101 11 91 100 11 90 221629.3690 B -0.0240 0.0500 2.3E-05 221629.3700 253.B 101 10 91 100 10 90 221629.3690 B -0.0240 0.0500 2.3E-05 221629.4159 254.B 101 12 90 100 12 89 221746.4323 B -0.0562 0.0500 2.3E-05 221746.2585 255.B 101 11 90 100 11 89 221746.4323 B -0.0562 0.0500 2.3E-05 221746.7184 256. 101 17 85 100 17 84 222194.5437 0.0705 0.0500 257. 101 16 86 100 16 85 222181.6859 0.0787 0.0500 258. 101 18 84 100 18 83 222163.2363 0.0430 0.0500 259. 101 15 87 100 15 86 222107.7702 -0.0458 0.0500 260. 101 20 81 100 20 80 222081.1523 -0.0952 0.0500 261. 101 20 82 100 20 81 222080.4967 0.0579 0.0500 262. 101 22 80 100 22 79 222022.2704 -0.0163 0.0500 263. 101 23 78 100 23 77 222000.4871 -0.0378 0.0500 264. 101 24 77 100 24 76 221982.1854 0.1032 0.0500 265. 101 25 76 100 25 75 221966.2001 -0.0274 0.0500 266. 101 26 75 100 26 74 221952.3944 -0.0437 0.0500 267. 101 27 74 100 27 73 221940.3401 0.0105 0.0500 268. 101 28 73 100 28 72 221929.5245 -0.0860 0.0500 269. 101 29 72 100 29 71 221920.0429 -0.0115 0.0500 270. 101 31 70 100 31 69 221903.7846 0.0345 0.0500 271. 101 32 69 100 32 68 221896.6797 -0.0610 0.0500 272. 101 33 68 100 33 67 221890.4287 0.0715 0.0500 273. 101 34 67 100 34 66 221884.4781 -0.0412 0.0500 274. 101 35 66 100 35 65 221879.0900 -0.0692 0.0500 275. 101 37 64 100 37 63 221869.6357 -0.0166 0.0500 276. 101 38 63 100 38 62 221865.4116 -0.0032 0.0500 277. 101 39 62 100 39 61 221861.4650 -0.0063 0.0500 278. 101 40 61 100 40 60 221857.7301 -0.0602 0.0500 279. 101 41 60 100 41 59 221854.2761 -0.0686 0.0500 280. 101 42 59 100 42 58 221851.1086 -0.0020 0.0500 281. 101 43 58 100 43 57 221848.0321 -0.0349 0.0500 282. 101 44 57 100 44 56 221845.1882 -0.0073 0.0500 283. 101 45 56 100 45 55 221842.3793 -0.1003 0.0500 284. 101 47 54 100 47 53 221837.4033 -0.0551 0.0500 285. 101 48 53 100 48 52 221835.2372 0.1087 0.0500 286. 101 49 52 100 49 51 221832.9574 0.0525 0.0500 287. 101 50 51 100 50 50 221830.7209 -0.0573 0.0500 288. 101 53 48 100 53 47 221824.9380 0.0377 0.0500 289. 101 58 43 100 58 42 221816.3487 -0.0528 0.0500 290. 101 59 42 100 59 41 221814.7669 -0.0850 0.0500 291. 101 62 39 100 62 38 221810.4611 0.0256 0.0500 292. 101 63 38 100 63 37 221808.9423 -0.0886 0.0500 293. 101 64 37 100 64 36 221807.6631 0.0076 0.0500 294. 101 65 36 100 65 35 221806.3137 0.0066 0.0500 295. 101 70 31 100 70 30 221799.8420 -0.0567 0.0500 296. 101 71 30 100 71 29 221798.6352 -0.0365 0.0500 ------------------------------------------------------------------------------------------------------ Sigma = 0.054547 288 Distinct lines in fit Sigma.w = 1.090949 281 Degrees of freedom A /MHz 1307.997(14) LJK /mHz 0.0 B /MHz 1105.50385(45) LKKJ/mHz 0.0 C /MHz 1092.70278(49) LK /mHz 0.0 DJ /kHz 0.055431(16) lJ /mHz 0.0 DJK /kHz 0.020154(89) lJK /mHz 0.0 DK /kHz -0.02526 lKJ /mHz 0.0 dJ /kHz 0.000890(12) lK /mHz 0.0 dK /kHz 0.03143(94) PJ /microHz 0.0 HJ / Hz 0.0 PJJK /microHz 0.0 HJK / Hz 0.0 PJK /microHz 0.0 HKJ / Hz 0.0 PKJ /microHz 0.0 HK / Hz 0.0 PKKJ /microHz 0.0 hJ / Hz 0.0 PK /microHz 0.0 hJK / Hz 0.0 pJ /microHz 0.0 hK / Hz 0.0 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 dJ dK A 1.0000 B 0.7153 1.0000 C -0.6714 -0.8433 1.0000 DJ -0.7320 -0.1861 0.4022 1.0000 DJK 0.7835 0.2704 -0.2229 -0.8778 1.0000 dJ 0.5201 0.9101 -0.9292 -0.1264 0.0440 1.0000 dK -0.7970 -0.2763 0.2269 0.8778 -0.9861 -0.0492 1.0000 Mean value of |C.ij|, i.ne.j = 0.5451 Mean value of C.ij, i.ne.j = -0.0927 Distribution of values of |C.ij|, i.ne.j: 10 20 30 40 50 60 ....,....|....,....|....,....|....,....|....,....|....,....|....,.. 2 <0.05 ** 0 <0.10 1 <0.15 * 1 <0.20 * 2 <0.25 ** 2 <0.30 ** 0 <0.35 0 <0.40 1 <0.45 * 0 <0.50 1 <0.55 * 0 <0.60 0 <0.65 1 <0.70 * 2 <0.75 ** 2 <0.80 ** 1 <0.85 * 2 <0.90 ** 2 <0.95 ** 1 <1.00 * _______________________________________________________________________________ There are no influential transitions with hjj > 0.500 mean of all values = 0.0247 WORST FITTING LINES (line number=(o-c)/error): 48= 2.9 106= -2.8 87= -2.8 154= 2.6 185= 2.6 86= -2.5 59= 2.5 _______________________________________________________________________________