ASFIT version 29.V.2015 _______________________________________________________________________________ quinoline _______________________________________________________________________________ Fit of Watson's Hamiltonian --> reduction-A, representation-I.r : A = 3145.5330130067677600891 +- 0.0000797688023601424 B = 1271.5779727820604421140 +- 0.0000747696196290693 C = 905.7394063622489284171 +- 0.0000449157881918471 DJ = 0.0000191103768295172 +- 0.0000000032866450572 DJK = 0.0000470313266466206 +- 0.0000000098972479084 DK = 0.0001614616389760090 +- 0.0000000199758631881 dJ = 0.0000056621627964518 +- 0.0000000015358979961 dK = 0.0000606229880054051 +- 0.0000000246525136274 Deviation of fit = 0.028879 Weighted deviation of fit = 0.966744 ------------------------------------------------------------------------------------------------------ TRANSITION Observed Obs-Calc Error Note Blend components ------------------------------------------------------------------------------------------------------ ! ! FTMW quadrupole free frequencies ! 1. 2 1 2 1 0 1 5862.7510 0.0002 0.0020 2. 2 2 1 2 1 2 6719.3765 -0.0005 0.0020 3. 3 2 2 3 1 3 7296.6796 -0.0005 0.0020 4. 4 3 1 4 2 2 9786.8836 -0.0007 0.0020 5. 3 3 0 3 2 1 10079.7992 -0.0007 0.0020 6. 3 3 1 3 2 2 10312.9047 -0.0007 0.0020 7. 2 2 1 1 1 0 10342.3344 -0.0001 0.0020 8. 4 3 2 4 2 3 10436.8228 -0.0007 0.0020 9. 5 1 5 4 0 4 10589.1795 0.0008 0.0020 10. 5 3 3 5 2 4 10672.9328 -0.0007 0.0020 11. 2 2 0 1 1 1 10756.6879 -0.0001 0.0020 12. 6 0 6 5 1 5 11393.1202 0.0011 0.0020 13. 3 2 2 2 1 1 12153.8115 0.0001 0.0020 14. 6 1 6 5 0 5 12165.2980 0.0011 0.0020 15. 7 0 7 6 1 6 13375.6632 0.0013 0.0020 16. 3 2 1 2 1 2 13488.4954 0.0000 0.0020 17. 4 2 3 3 1 2 13777.0813 0.0003 0.0020 ! ! MMW bR-type transitions, for each frequency region these are: ! ! 1/ type-II bandheads ! 2/ lower-J miscellaneous non-bandhead transitions ! 18. 92 1 92 91 0 91 167536.5910 -0.0607 0.0300 19. 88 5 84 87 4 83 167539.1756 0.0167 0.0300 20. 87 6 82 86 5 81 167544.6800 -0.0292 0.0300 21. 86 7 80 85 6 79 167554.2417 -0.0236 0.0300 22. 85 8 78 84 7 77 167569.4326 0.0283 0.0300 23. 84 9 76 83 8 75 167592.2272 0.0130 0.0300 24. 83 10 74 82 9 73 167625.5094 0.0071 0.0300 25. 82 11 72 81 10 71 167673.1196 0.0067 0.0300 26. 81 12 70 80 11 69 167740.4238 -0.0138 0.0300 27. 79 14 66 78 13 65 167969.3531 -0.0038 0.0300 28. 74 16 58 73 17 57 165173.1816 -0.0157 0.0300 29. 76 14 62 75 15 61 164602.5345 -0.0499 0.0300 30. 76 15 62 75 14 61 164605.1021 0.0230 0.0300 31. 77 14 64 76 13 63 164388.1159 -0.0594 0.0300 32. 77 13 64 76 14 63 164388.1159 0.0619 0.0300 33. 78 13 66 77 12 65 164239.5886 0.0104 0.0300 34. 27 27 1 26 26 0 167792.8820 -0.0195 0.0300 35. 31 24 8 30 23 7 164269.9916 -0.0245 0.0300 36. 33 23 11 32 22 10 164543.8935 -0.0005 0.0300 37. 39 20 20 38 19 19 165185.9075 0.0081 0.0300 38. 41 19 23 40 18 22 165257.5991 0.0062 0.0300 39. 43 18 26 42 17 25 165168.6206 0.0759 0.0300 40. 48 16 33 47 15 32 165307.5045 0.0111 0.0300 41. 49 15 34 48 14 35 164489.5050 0.0409 0.0300 !-------------------------------- 42. 103 1 103 102 0 102 187453.0271 -0.0064 0.0300 43. 99 5 95 98 4 94 187453.8191 0.0038 0.0300 44. 98 6 93 97 5 92 187457.6511 -0.0064 0.0300 45. 97 7 91 96 6 90 187464.3606 -0.0351 0.0300 46. 96 8 89 95 7 88 187475.0538 -0.0325 0.0300 47. 95 9 87 94 8 86 187491.0532 -0.0229 0.0300 48. 94 10 85 93 9 84 187514.1002 0.0009 0.0300 49. 93 11 83 92 10 82 187546.4157 -0.0006 0.0300 50. 92 12 81 91 11 80 187590.9890 -0.0289 0.0300 51. 91 13 79 90 12 78 187651.9490 0.0144 0.0300 52. 92 13 80 91 12 79 189455.8212 0.0152 0.0300 53. 31 30 2 30 29 1 188852.6590 -0.0203 0.0300 54. 35 28 8 34 27 7 189428.3166 -0.0450 0.0300 55. 36 27 10 35 26 9 187518.8552 -0.0463 0.0300 !-------------------------------- 56. 115 1 115 114 0 114 209177.3422 0.0221 0.0300 57. 114 2 113 113 1 112 209176.3650 0.0016 0.0300 58. 113 3 111 112 2 110 209175.7418 0.0148 0.0300 59. 112 4 109 111 3 108 209175.7418 0.0024 0.0300 60. 111 5 107 110 4 106 209176.8277 0.0281 0.0300 61. 110 6 105 109 5 104 209179.3990 0.0051 0.0300 62. 109 7 103 108 6 102 209184.1157 -0.0013 0.0300 63. 108 8 101 107 7 100 209191.6986 -0.0012 0.0300 64. 107 9 99 106 8 98 209203.0590 0.0131 0.0300 65. 106 10 97 105 9 96 209219.2912 0.0112 0.0300 66. 105 11 95 104 10 94 209241.8516 0.0379 0.0300 67. 104 12 93 103 11 92 209272.4193 -0.0169 0.0300 68. 103 13 91 102 12 90 209313.3932 -0.0492 0.0300 69. 102 14 89 101 13 88 209367.7861 -0.0317 0.0300 70. 101 15 87 100 14 86 209439.4995 -0.0137 0.0300 71. 100 16 85 99 15 84 209533.8870 0.0199 0.0300 72. 99 17 83 98 16 82 209658.2728 -0.0121 0.0300 73. 98 18 81 97 17 80 209823.3949 0.0060 0.0300 !-------------------------------- 74. 116 1 116 115 0 115 210987.5444 0.0029 0.0300 75. 115 2 114 114 1 113 210986.5803 -0.0014 0.0300 76. 114 3 112 113 2 111 210985.9136 -0.0205 0.0300 77. 113 4 110 112 3 109 210985.9136 -0.0071 0.0300 78. 112 5 108 111 4 107 210986.9363 0.0046 0.0300 79. 111 6 106 110 5 105 210989.4517 0.0100 0.0300 80. 110 7 104 109 6 103 210994.0386 0.0083 0.0300 81. 109 8 102 108 7 101 211001.4223 0.0143 0.0300 82. 108 9 100 107 8 99 211012.4360 -0.0155 0.0300 83. 107 10 98 106 9 97 211028.2810 0.0317 0.0300 84. 106 11 96 105 10 95 211050.1496 -0.0143 0.0300 85. 105 12 94 104 11 93 211079.8998 -0.0176 0.0300 86. 104 13 92 103 12 91 211119.7469 0.0356 0.0300 87. 103 14 90 102 13 89 211172.4144 0.0161 0.0300 !-------------------------------- 88. 119 1 119 118 0 118 216418.0863 0.0117 0.0300 89. 117 3 115 116 2 114 216416.3916 -0.0345 0.0300 90. 115 5 111 114 4 110 216417.1720 -0.0386 0.0300 91. 114 6 109 113 5 108 216419.4965 0.0141 0.0300 92. 113 7 107 112 6 106 216423.6358 -0.0558 0.0300 93. 112 8 105 111 7 104 216430.4193 -0.0733 0.0300 94. 111 9 103 110 8 102 216440.6265 -0.0613 0.0300 95. 110 10 101 109 9 100 216455.2261 -0.0405 0.0300 96. 109 11 99 108 10 98 216475.4084 -0.0500 0.0300 97. 108 12 97 107 11 96 216502.7336 -0.0701 0.0300 98. 107 13 95 106 12 94 216539.2360 -0.0178 0.0300 99. 106 14 93 105 13 92 216587.3343 0.0243 0.0300 100. 105 15 91 104 14 90 216650.2583 0.0315 0.0300 101. 104 16 89 103 15 88 216732.2756 -0.0394 0.0300 102. 103 17 87 102 16 86 216839.3746 -0.0356 0.0300 103. 102 18 85 101 17 84 216979.6439 0.0130 0.0300 104. 101 19 83 100 18 82 217164.6595 -0.0180 0.0300 105. 99 20 79 98 21 78 217748.0356 -0.0043 0.0300 106. 99 21 79 98 20 78 217752.8929 0.0190 0.0300 !-------------------------------- 107. 120 1 120 119 0 119 218228.2484 0.0405 0.0300 108. 116 5 112 115 4 111 218227.2885 0.0248 0.0300 109. 115 6 110 114 5 109 218229.4937 0.0331 0.0300 110. 114 7 108 113 6 107 218233.5565 0.0058 0.0300 111. 104 17 88 103 16 87 218636.3484 0.0182 0.0300 112. 35 35 1 34 34 0 218100.8567 0.0086 0.0300 113. 35 33 3 34 32 2 209910.7141 0.0125 0.0300 114. 37 32 6 36 31 5 210200.0022 0.0040 0.0300 115. 43 29 15 42 28 14 211033.4972 0.0362 0.0300 116. 38 33 6 37 32 5 216488.1067 -0.0470 0.0300 117. 39 33 7 38 32 6 218680.0775 0.0109 0.0300 118. 40 32 9 39 31 8 216774.3022 -0.0361 0.0300 119. 41 32 10 40 31 9 218964.7221 -0.0315 0.0300 120. 42 31 12 41 30 11 217054.4594 -0.0150 0.0300 121. 46 27 20 45 26 19 209338.6124 -0.0010 0.0300 122. 48 26 23 47 25 22 209535.9695 -0.0107 0.0300 123. 48 28 21 47 27 20 217809.6505 -0.0365 0.0300 124. 50 25 26 49 24 25 209679.6637 0.0205 0.0300 125. 52 24 29 51 23 28 209742.5590 -0.0060 0.0300 126. 54 23 32 53 22 31 209682.5149 0.0231 0.0300 127. 54 25 30 53 24 29 218214.3373 0.0034 0.0300 128. 56 22 35 55 21 34 209429.7669 0.0366 0.0300 129. 56 24 33 55 23 32 218164.9233 0.0054 0.0300 130. 58 23 36 57 22 35 217938.3396 0.0411 0.0300 131. 61 20 42 60 19 41 209320.4907 0.0316 0.0300 132. 61 20 41 60 19 42 209624.5065 -0.0078 0.0300 133. 63 21 43 62 20 42 218170.3062 0.0050 0.0300 134. 63 19 44 62 18 45 209233.7555 -0.0226 0.0300 135. 66 19 47 65 18 48 218871.4894 0.0170 0.0300 136. 65 20 45 64 19 46 217125.0974 0.0185 0.0300 137. 89 23 67 88 22 66 216821.7374 0.0573 0.0300 138. 93 21 72 92 22 71 209361.6376 -0.0196 0.0300 139. 94 21 73 93 22 72 211179.4475 -0.0828 0.0300 140. 95 23 73 94 22 72 216614.3099 0.0098 0.0300 141. 96 23 74 95 22 73 217901.1277 0.0228 0.0300 142. 97 22 76 96 21 75 216568.1471 -0.0182 0.0300 143. 98 21 77 97 22 76 218196.2645 0.0142 0.0300 !-------------------------------- 144. 128 1 128 127 0 127 232708.5138 0.0657 0.0300 145. 127 2 126 126 1 125 232707.4697 0.0147 0.0300 146. 125 4 122 124 3 121 232706.4306 0.0141 0.0300 147. 122 7 116 121 6 115 232711.8551 0.0041 0.0300 148. 120 9 112 119 8 111 232725.3345 0.0298 0.0300 149. 119 10 110 118 9 109 232736.8997 0.0079 0.0300 150. 118 11 108 117 10 107 232752.9070 0.0098 0.0300 151. 117 12 106 116 11 105 232774.4482 -0.0077 0.0300 152. 116 13 104 115 12 103 232802.9607 -0.0099 0.0300 153. 115 14 102 114 13 101 232840.1836 -0.0082 0.0300 154. 114 15 100 113 14 99 232888.3494 0.0218 0.0300 155. 113 16 98 112 15 97 232950.2078 0.0084 0.0300 156. 111 18 94 110 17 93 233131.0346 0.0597 0.0300 157. 108 21 88 107 20 87 233648.6447 0.0086 0.0300 158. 106 22 84 105 23 83 234327.7214 0.0281 0.0300 159. 106 23 84 105 22 83 234335.8578 0.0162 0.0300 160. 105 22 83 104 23 82 232585.9556 0.0247 0.0300 161. 105 23 83 104 22 82 232599.7080 -0.0530 0.0300 162. 38 37 2 37 36 1 232868.8358 -0.0196 0.0300 163. 40 36 5 39 35 4 233159.2504 0.0294 0.0300 164. 44 34 11 43 33 10 233731.4492 0.0104 0.0300 165. 48 32 17 47 31 16 234274.6113 -0.0058 0.0300 166. 51 30 22 50 29 21 232579.0827 -0.0096 0.0300 167. 55 28 28 54 27 27 232937.6449 -0.0298 0.0300 168. 53 29 25 52 28 24 232781.0481 0.0109 0.0300 169. 55 28 28 54 27 27 232937.6449 -0.0298 0.0300 170. 61 25 37 60 24 36 232882.1804 -0.0048 0.0300 171. 63 24 40 62 23 39 232525.4872 0.0661 0.0300 172. 66 23 44 65 22 43 233724.7470 0.0225 0.0300 173. 66 23 43 65 22 44 233734.9258 -0.0008 0.0300 174. 69 22 48 68 21 47 233687.8303 0.0078 0.0300 175. 99 25 75 98 24 74 232563.2578 -0.0380 0.0300 176. 100 25 76 99 24 75 232534.3886 0.0260 0.0300 ! ! bQ-type transitions ! 177. 95 3 93 95 2 94 167579.3712 0.0503 0.0300 178. 101 7 94 101 6 95 164606.4443 -0.0319 0.0300 179. 104 9 95 104 8 96 164228.9985 0.0459 0.0300 180. 109 12 97 109 11 98 164249.0937 0.0033 0.0300 181. 111 13 99 111 12 100 167930.9532 -0.0111 0.0300 182. 113 14 99 113 13 100 165264.3849 -0.0399 0.0300 183. 116 15 101 116 14 102 167565.8145 -0.0053 0.0300 184. 116 16 100 116 15 101 164223.0175 0.0074 0.0300 185. 118 16 102 118 15 103 167966.0044 -0.0097 0.0300 186. 118 17 101 118 16 102 164556.0253 -0.0005 0.0300 187. 122 19 103 122 18 104 165064.7122 -0.0200 0.0300 188. 124 20 104 124 19 105 165236.3602 0.0730 0.0300 189. 59 41 18 59 40 19 165282.5373 -0.0141 0.0300 190. 60 41 19 60 40 20 165228.4425 0.0151 0.0300 191. 61 41 20 61 40 21 165171.4900 -0.0314 0.0300 192. 62 41 21 62 40 22 165111.7530 0.0190 0.0300 193. 63 41 22 63 40 23 165048.9652 0.0016 0.0300 194. 68 41 27 68 40 28 164686.6329 0.0075 0.0300 195. 69 41 28 69 40 29 164603.6565 -0.0183 0.0300 196. 70 41 29 70 40 30 164517.0085 0.0540 0.0300 197. 71 41 30 71 40 31 164426.3736 0.0335 0.0300 198. 72 41 31 72 40 32 164331.6699 -0.0345 0.0300 199. 73 41 32 73 40 33 164232.8717 -0.0445 0.0300 200. 78 42 36 78 41 37 167941.4052 -0.0102 0.0300 201. 80 42 38 80 41 39 167702.0979 -0.0279 0.0300 202. 81 42 39 81 41 40 167575.2116 0.0165 0.0300 203. 95 42 53 95 41 54 165188.5020 0.0068 0.0300 204. 98 42 56 98 41 57 164498.8038 0.0427 0.0300 205. 99 42 57 99 41 58 164252.0707 0.0069 0.0300 206. 113 43 70 113 42 71 164629.2130 0.0369 0.0300 207. 117 44 73 117 43 74 167991.0241 -0.0208 0.0300 208. 118 44 74 118 43 75 167593.7399 0.0213 0.0300 209. 93 47 46 93 46 47 187451.0267 -0.0193 0.0300 210. 92 47 45 92 46 46 187588.3053 -0.0708 0.0300 211. 91 47 44 91 46 45 187721.0695 0.0232 0.0300 212. 81 47 34 81 46 35 188817.3870 -0.0445 0.0300 213. 73 47 26 73 46 27 189440.7991 0.0311 0.0300 214. 115 48 67 115 47 68 187555.8648 -0.0358 0.0300 215. 107 48 59 107 47 60 189426.5607 -0.0609 0.0300 216. 130 49 81 130 48 82 187472.1735 0.0227 0.0300 217. 80 52 28 80 51 29 209847.1804 -0.0538 0.0300 218. 81 52 29 81 51 30 209782.0343 0.0400 0.0300 219. 82 52 30 82 51 31 209714.2898 0.0142 0.0300 220. 83 52 31 83 51 32 209644.0064 -0.0050 0.0300 221. 84 52 32 84 51 33 209571.1264 -0.0074 0.0300 222. 85 52 33 85 51 34 209495.6021 0.0287 0.0300 223. 86 52 34 86 51 35 209417.2957 0.0361 0.0300 224. 87 52 35 87 51 36 209336.1083 -0.0120 0.0300 225. 88 52 36 88 51 37 209252.1354 0.0536 0.0300 226. 89 52 37 89 51 38 209165.0536 -0.0157 0.0300 227. 56 54 2 56 53 3 219047.8720 -0.0313 0.0300 228. 57 54 3 57 53 4 219027.4479 0.0158 0.0300 229. 58 54 4 58 53 5 219005.8995 0.0115 0.0300 230. 59 54 5 59 53 6 218983.2629 0.0295 0.0300 231. 60 54 6 60 53 7 218959.4214 -0.0083 0.0300 232. 62 54 8 62 53 9 218908.2615 0.0439 0.0300 233. 63 54 9 63 53 10 218880.7171 -0.0115 0.0300 234. 69 54 15 69 53 16 218686.7337 -0.0419 0.0300 235. 70 54 16 70 53 17 218649.2223 0.0209 0.0300 236. 71 54 17 71 53 18 218610.0212 0.0162 0.0300 237. 79 54 25 79 53 26 218232.0739 -0.0348 0.0300 238. 80 54 26 80 53 27 218176.0412 -0.0118 0.0300 239. 81 54 27 81 53 28 218117.8941 0.0380 0.0300 240. 84 54 30 84 53 31 217929.8545 0.0140 0.0300 241. 85 54 31 85 53 32 217862.5047 0.0088 0.0300 242. 86 54 32 86 53 33 217792.6950 -0.0183 0.0300 243. 87 54 33 87 53 34 217720.4401 0.0102 0.0300 244. 94 54 40 94 53 41 217138.8300 -0.0725 0.0300 245. 95 54 41 95 53 42 217044.2377 0.0306 0.0300 246. 96 54 42 96 53 43 216946.3900 0.0007 0.0300 247. 98 54 44 98 53 45 216741.0276 -0.0530 0.0300 248. 99 54 45 99 53 46 216633.4880 0.0554 0.0300 249. 100 54 46 100 53 47 216522.3546 0.0067 0.0300 250. 113 55 58 113 54 59 219075.1144 0.0182 0.0300 251. 114 55 59 114 54 60 218916.1464 0.0018 0.0300 252. 124 55 69 124 54 70 217056.2987 -0.0200 0.0300 253. 126 55 71 126 54 72 216619.0227 -0.0162 0.0300 254. 88 58 30 88 57 31 234348.8115 0.0069 0.0300 255. 89 58 31 89 57 32 234286.4856 0.0465 0.0300 256. 97 58 39 97 57 40 233705.8538 -0.0153 0.0300 257. 98 58 40 98 57 41 233622.2653 0.0028 0.0300 258. 103 58 45 103 57 46 233163.3072 -0.0002 0.0300 259. 105 58 47 105 57 48 232959.4252 -0.0170 0.0300 260. 107 58 49 107 57 50 232743.1686 -0.0188 0.0300 261. 108 58 50 108 57 51 232630.2699 0.0307 0.0300 262. 109 58 51 109 57 52 232513.9572 -0.0241 0.0300 ------------------------------------------------------------------------------------------------------ Sigma = 0.028879 262 Distinct lines in fit Sigma.w = 0.966744 254 Degrees of freedom A /MHz 3145.533013(79) LJK /mHz 0.0 B /MHz 1271.577972(74) LKKJ/mHz 0.0 C /MHz 905.739406(44) LK /mHz 0.0 DJ /kHz 0.0191103(32) lJ /mHz 0.0 DJK /kHz 0.0470313(98) lJK /mHz 0.0 DK /kHz 0.161461(19) lKJ /mHz 0.0 dJ /kHz 0.0056621(15) lK /mHz 0.0 dK /kHz 0.060622(24) 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 DK dJ dK A 1.0000 B 0.0769 1.0000 C -0.0597 0.3915 1.0000 DJ 0.0567 0.8996 0.3829 1.0000 DJK 0.2571 -0.3107 0.0702 -0.4267 1.0000 DK 0.5661 -0.2242 -0.3888 -0.1563 -0.3890 1.0000 dJ 0.1251 0.7716 -0.1852 0.7951 -0.4254 0.0477 1.0000 dK -0.0336 0.3707 -0.1821 0.6062 -0.3950 -0.0327 0.6061 1.0000 Mean value of |C.ij|, i.ne.j = 0.3298 Mean value of C.ij, i.ne.j = 0.1005 Distribution of values of |C.ij|, i.ne.j: 10 20 30 40 50 60 ....,....|....,....|....,....|....,....|....,....|....,....|....,.. 3 <0.05 *** 4 <0.10 **** 1 <0.15 * 3 <0.20 *** 1 <0.25 * 1 <0.30 * 1 <0.35 * 6 <0.40 ****** 2 <0.45 ** 0 <0.50 0 <0.55 1 <0.60 * 2 <0.65 ** 0 <0.70 0 <0.75 2 <0.80 ** 0 <0.85 1 <0.90 * 0 <0.95 0 <1.00 _______________________________________________________________________________ There are no influential transitions with hjj > 0.500 mean of all values = 0.0305 WORST FITTING LINES (line number=(o-c)/error): 139= -2.8 39= 2.5 93= -2.4 188= 2.4 244= -2.4 210= -2.4 97= -2.3 _______________________________________________________________________________