ASFIT version 14.IV.2008 _______________________________________________________________________________ Salicyl aldehyde, vb state ( 212 cm-1 ) _______________________________________________________________________________ Fit of Watson's Hamiltonian --> reduction-A, representation-I.r : A = 3213.0316074187371668813 +- 0.0002912539055617184 B = 1493.1967823172085445549 +- 0.0000884147888606769 C = 1020.6899058345954927063 +- 0.0000755310779028608 DJ = 0.0000378293216004419 +- 0.0000000050985924260 DJK = 0.0001537275529124563 +- 0.0000000514484390480 DK = 0.0003165665164752729 +- 0.0000001814370746160 dJ = 0.0000107520536850723 +- 0.0000000020773245601 dK = 0.0001171105895735218 +- 0.0000000550539886995 HJK = -0.0000000000162000000 HKJ = -0.0000000003697097724 +- 0.0000000000116072835 HK = 0.0000000001778262685 +- 0.0000000000325401725 Deviation of fit = 0.048611 Weighted deviation of fit = 1.014922 ------------------------------------------------------------------------------------------------------ TRANSITION Observed Obs-Calc Error Note Blend components ------------------------------------------------------------------------------------------------------ ! ! IFPAN MMW ! ! 1. 103 0 103 102 0 102 211207.5178 -0.0177 0.0500 2. 104 0 104 103 0 103 213246.7821 -0.0139 0.0500 3. 112 0 112 111 0 111 229559.4344 0.0606 0.0500 ! 4. 102 1 101 101 1 100 211201.8049 0.0543 0.0500 5. 103 1 102 102 1 101 213241.0292 0.0225 0.0500 6. 104 1 103 103 1 102 215280.1892 -0.0327 0.0500 7. 105 1 104 104 1 103 217319.3898 -0.0059 0.0500 8. 111 1 110 110 1 109 229553.5251 -0.0257 0.0500 ! 9. 101 2 99 100 2 98 211196.2430 0.0315 0.0500 10. 102 2 100 101 2 99 213235.5424 0.0884 0.0500 11. 103 2 101 102 2 100 215274.6385 -0.0176 0.0500 12. 104 2 102 103 2 101 217313.7800 -0.0372 0.0500 13. 110 2 108 109 2 107 229547.8926 -0.0082 0.0500 ! 14.B 101 3 98 100 3 97 213230.3601 B 0.0123 0.0500 1.5E-04 213230.4478 15.B 96 8 88 95 8 87 213230.3601 B 0.0123 0.0500 1.5E-04 213230.2478 16. 102 3 99 101 3 98 215269.5910 -0.0301 0.0500 17. 103 3 100 102 3 99 217308.7194 -0.0347 0.0500 18. 109 3 106 108 3 105 229542.6918 0.0078 0.0500 ! 19. 99 4 95 98 4 94 211187.2460 0.0386 0.0500 20. 100 4 96 99 4 95 213226.3801 0.0149 0.0500 21. 101 4 97 100 4 96 215265.5332 0.0483 0.0500 22. 102 4 98 101 4 97 217304.4992 -0.0668 0.0500 23. 108 4 104 107 4 103 229538.1858 -0.0274 0.0500 ! 24. 99 5 94 98 5 93 213223.6717 0.0038 0.0500 25. 100 5 95 99 5 94 215262.6983 0.0012 0.0500 26.B 101 5 96 100 5 95 217301.8804 B 0.0614 0.0500 1.5E-04 217301.6907 27.B 99 8 92 98 7 91 217301.8804 B 0.0614 0.0500 6.0E-05 217302.1399 28. 107 5 102 106 5 101 229534.8957 0.0309 0.0500 ! 29. 98 6 92 97 6 91 213222.9334 0.0112 0.0500 30. 99 6 93 98 6 92 215261.7539 -0.0543 0.0500 31. 100 6 94 99 6 93 217300.6060 -0.0570 0.0500 ! 32. 96 7 89 95 7 88 211186.1015 -0.0349 0.0500 33. 97 7 90 96 7 89 213224.8524 0.0256 0.0500 34. 98 7 91 97 7 90 215263.4700 -0.0251 0.0500 35.B 105 7 98 104 7 97 229533.2570 B -0.0150 0.0500 1.4E-04 229533.4504 36.B 106 7 100 105 7 99 229533.2570 B -0.0150 0.0500 1.4E-04 229533.0935 ! 37. 97 8 89 96 8 88 215268.5711 -0.0244 0.0500 38. 98 8 90 97 8 89 217306.8809 -0.0505 0.0500 39. 104 8 96 103 8 95 229536.5873 -0.0190 0.0500 ! 40. 95 9 86 94 9 85 213240.2679 0.0018 0.0500 41. 96 9 87 95 9 86 215278.0615 -0.0902 0.0500 42. 97 9 88 96 9 87 217315.9966 -0.0471 0.0500 43. 103 9 94 102 9 93 229543.3793 -0.0031 0.0500 ! 44. 93 10 83 92 10 82 211219.1572 0.1083 0.0500 45. 95 10 85 94 10 84 215293.4799 0.0083 0.0500 46. 96 10 86 95 10 85 217330.7496 0.0148 0.0500 47. 102 10 92 101 10 91 229554.8241 0.0343 0.0500 ! 48. 92 11 81 91 11 80 211243.7279 0.0573 0.0500 49. 93 11 82 92 11 81 213279.8156 -0.0843 0.0500 50. 94 11 83 93 11 82 215316.2105 0.0011 0.0500 51. 101 11 90 100 11 89 229572.1132 0.0305 0.0500 ! 52. 91 12 79 90 12 78 211278.6381 0.0619 0.0500 53. 92 12 80 91 12 79 213313.4322 -0.0251 0.0500 54. 93 12 81 92 12 80 215348.5139 0.0324 0.0500 ! 55. 90 13 77 89 13 76 211326.8584 0.0602 0.0500 56. 91 13 78 90 13 77 213359.8272 0.0325 0.0500 57. 92 13 79 91 13 78 215393.0851 0.0563 0.0500 58. 93 13 80 92 13 79 217426.5202 0.0374 0.0500 59. 99 13 86 98 13 85 229630.9513 -0.0591 0.0500 ! 60. 90 14 76 89 14 75 213422.7771 0.0578 0.0500 61. 92 14 78 91 14 77 217484.4416 -0.1003 0.0500 62. 98 14 84 97 14 83 229677.1803 0.0229 0.0500 ! 63. 88 15 73 87 15 72 211480.7030 -0.0188 0.0500 64. 89 15 74 88 15 73 213507.3665 0.0088 0.0500 65. 90 15 75 89 15 74 215534.5556 -0.0316 0.0500 66. 91 15 76 90 15 75 217562.3571 -0.0091 0.0500 67. 97 15 82 96 15 81 229738.5380 -0.0111 0.0500 ! 68. 87 16 71 86 16 70 211599.4303 -0.0211 0.0500 69. 88 16 72 87 16 71 213620.7445 -0.0364 0.0500 70. 89 16 73 88 16 72 215643.0292 -0.0085 0.0500 71. 90 16 74 89 16 73 217666.1405 -0.0093 0.0500 72. 96 16 80 95 16 79 229819.4955 -0.0078 0.0500 ! 73. 86 17 69 85 17 68 211759.4004 -0.0092 0.0500 74. 87 17 70 86 17 69 213773.0221 -0.0144 0.0500 75. 89 17 72 88 17 71 217804.5097 -0.0433 0.0500 76. 95 17 78 94 17 77 229925.8223 0.0010 0.0500 ! 77.B 85 18 67 84 18 66 211976.7438 B -0.0734 0.0500 1.4E-04 211976.8257 78.B 85 19 67 84 19 66 211976.7438 B -0.0734 0.0500 1.4E-04 211976.8087 79. 86 18 68 85 18 67 213978.9411 -0.0282 0.0500 80. 87 18 69 86 18 68 215983.5155 0.0465 0.0500 81. 88 18 70 87 18 69 217990.1411 0.0336 0.0500 ! 82.B 85 19 66 84 19 65 214261.6766 B 0.0159 0.0500 1.4E-04 214261.7479 83.B 85 20 66 84 20 65 214261.6766 B 0.0159 0.0500 1.4E-04 214261.5735 84.B 86 19 67 85 19 66 216249.8724 B -0.0809 0.0500 1.4E-04 216249.9984 85.B 86 20 67 85 20 66 216249.8724 B -0.0809 0.0500 1.4E-04 216249.9082 ! 86. 82 20 62 81 20 61 210762.8875 -0.0189 0.0500 87. 83 20 63 82 20 62 212707.4733 -0.0641 0.0500 88. 84 20 64 83 20 63 214661.2697 -0.0179 0.0500 89. 85 20 65 84 20 64 216622.6812 0.0169 0.0500 90.B 91 20 71 90 20 70 228502.3632 B 0.0419 0.0500 1.4E-04 228502.3377 91.B 91 21 71 90 21 70 228502.3632 B 0.0419 0.0500 1.4E-04 228502.3050 ! 92. 82 21 62 81 21 61 210753.0552 0.0348 0.0500 93. 83 21 63 82 21 62 212702.2274 0.1071 0.0500 94. 84 21 63 83 21 62 217172.9033 0.0151 0.0500 95. 85 21 65 84 21 64 216621.1299 0.0474 0.0500 96. 90 21 69 89 21 68 228856.9238 -0.1220 0.0500 ! 97. 79 22 57 78 22 56 211814.7970 0.0132 0.0500 98. 81 22 59 80 22 58 214746.4143 0.0230 0.0500 99. 81 22 60 80 22 59 211401.1714 0.0281 0.0500 100. 82 22 60 81 22 59 216396.1526 0.0444 0.0500 101. 83 22 61 82 22 60 218129.7473 -0.0885 0.0500 102. 89 22 67 88 22 66 229361.1457 0.0494 0.0500 103. 90 22 69 89 22 68 228856.4858 0.0303 0.0500 ! 104. 79 23 56 78 23 55 217188.6380 0.0234 0.0500 105. 80 23 57 79 23 56 218246.0516 -0.0186 0.0500 106. 80 23 58 79 23 57 212139.9308 -0.0183 0.0500 107. 81 23 59 80 23 58 214072.3745 0.0382 0.0500 108. 82 23 60 81 23 59 215981.6529 0.0659 0.0500 109. 89 23 67 88 23 66 229352.2938 0.0331 0.0500 ! 110. 79 24 56 78 24 55 212149.2011 0.0799 0.0500 111. 80 24 57 79 24 56 214386.2791 0.0188 0.0500 112. 81 24 58 80 24 57 216516.7140 0.0162 0.0500 113. 85 24 61 84 24 60 229146.2423 0.1183 0.0500 ! 114. 78 25 53 77 25 52 214397.2991 0.0606 0.0500 115. 79 25 55 78 25 54 212900.0554 -0.0177 0.0500 116. 81 25 57 80 25 56 218084.4387 0.0191 0.0500 117. 82 25 57 81 25 56 229129.0684 -0.0163 0.0500 ! 118. 79 26 53 78 26 52 214324.4733 0.0601 0.0500 119. 79 26 54 78 26 53 212406.2865 -0.0163 0.0500 ! 120. 79 27 52 78 27 51 211720.9949 -0.0757 0.0500 121. 80 27 53 79 27 52 215089.9528 -0.0258 0.0500 122. 80 27 54 79 27 53 214389.9707 0.0114 0.0500 123. 81 27 55 80 27 54 217470.6249 -0.1074 0.0500 124. 85 27 59 84 27 58 229324.7050 -0.0025 0.0500 ! 125. 80 28 52 79 28 51 213337.6594 -0.0673 0.0500 126. 81 28 54 80 28 53 216283.0476 -0.0061 0.0500 127. 85 28 58 84 28 57 228643.9973 0.0411 0.0500 ! 128. 80 29 52 79 29 51 212156.6102 -0.0267 0.0500 129. 82 29 54 81 29 53 218202.5976 0.0005 0.0500 ! 130. 81 31 51 80 31 50 213433.7496 -0.0065 0.0500 131. 82 31 52 81 31 51 216352.2132 -0.1144 0.0500 132. 82 31 51 81 31 50 216353.4185 -0.1351 0.0500 ! 133.B 81 32 50 80 32 49 212760.6939 B 0.0241 0.0500 1.2E-04 212760.6364 134.B 81 32 49 80 32 48 212760.6939 B 0.0241 0.0500 1.2E-04 212760.7032 135.B 82 32 51 81 32 50 215637.9378 B 0.0195 0.0500 1.2E-04 215637.8488 136.B 82 32 50 81 32 49 215637.9378 B 0.0195 0.0500 1.2E-04 215637.9879 ! 137. 81 33 48 80 33 47 212178.1980 0.0491 0.0500 138.B 82 33 50 81 33 49 215022.2245 B 0.0414 0.0500 1.2E-04 215022.1760 139.B 82 33 49 81 33 48 215022.2245 B 0.0414 0.0500 1.2E-04 215022.1902 140.B 83 33 51 82 33 50 217878.6033 B 0.0388 0.0500 1.2E-04 217878.5493 141.B 83 33 50 82 33 49 217878.6033 B 0.0388 0.0500 1.2E-04 217878.5796 ! 142. 81 34 47 80 34 46 211667.3591 0.0521 0.0500 143. 82 34 49 81 34 48 214484.0512 0.0393 0.0500 144. 83 34 49 82 34 48 217311.2689 -0.0075 0.0500 145.B 87 34 53 86 34 52 228737.3224 B 0.0487 0.0500 1.1E-04 228737.3039 146.B 87 34 54 86 34 53 228737.3224 B 0.0487 0.0500 1.1E-04 228737.2435 ! 147. 81 35 46 80 35 45 211214.6260 0.0730 0.0500 148. 83 35 48 82 35 47 216811.1399 0.0011 0.0500 ! 149. 81 36 45 80 36 44 210809.8333 -0.0052 0.0500 150. 83 36 47 82 36 46 216365.8859 -0.0231 0.0500 ! 151. 82 37 45 81 37 44 213202.2459 -0.0580 0.0500 152.B 83 37 46 82 37 45 215966.2855 B -0.0099 0.0500 1.0E-04 215966.4192 153.B 43 28 15 42 27 16 215966.2855 B -0.0099 0.0500 6.0E-05 215966.0891 154. 88 37 51 87 37 50 229906.4730 0.0450 0.0500 ! 155. 82 38 44 81 38 43 212857.3208 0.0506 0.0500 156. 84 38 46 83 38 45 218360.8254 0.0439 0.0500 157. 88 38 50 87 38 49 229454.6566 0.0293 0.0500 ! 158. 82 39 43 81 39 42 212543.5727 0.0350 0.0500 159. 84 39 45 83 39 44 218018.4427 -0.0506 0.0500 160. 88 39 49 87 39 48 229047.1465 0.0349 0.0500 ! 161. 83 40 43 82 40 42 214978.7765 -0.0488 0.0500 162. 84 40 44 83 40 43 217706.4299 0.0055 0.0500 163. 88 40 48 87 40 47 228677.3818 0.0633 0.0500 ! 164. 82 41 41 81 41 40 211994.1391 0.0783 0.0500 165. 83 41 42 82 41 41 214704.7998 0.0781 0.0500 166. 84 41 43 83 41 42 217420.6659 0.0090 0.0500 ! 167. 82 42 40 81 42 39 211752.0927 0.0328 0.0500 168. 83 42 41 82 42 40 214452.6279 0.0655 0.0500 169. 84 42 42 83 42 41 217157.9888 0.0298 0.0500 ! 170. 82 43 39 81 43 38 211528.5984 0.0462 0.0500 171. 83 43 40 82 43 39 214219.8507 0.0390 0.0500 172. 84 43 41 83 43 40 216915.6254 -0.0073 0.0500 ! 173. 82 44 38 81 44 37 211321.5474 0.0332 0.0500 174. 83 44 39 82 44 38 214004.3379 0.0140 0.0500 175. 84 44 40 83 44 39 216691.3069 -0.0947 0.0500 ! 176. 82 45 37 81 45 36 211129.1830 -0.0322 0.0500 177. 83 45 38 82 45 37 213804.1971 -0.0706 0.0500 178. 84 45 39 83 45 38 216483.2532 -0.0745 0.0500 ! 179. 82 46 36 81 46 35 210950.2520 0.0888 0.0500 180. 84 46 38 83 46 37 216289.7127 -0.0345 0.0500 ! 181. 82 47 35 81 47 34 210783.1051 0.0414 0.0500 182. 84 47 37 83 47 36 216109.2488 0.0268 0.0500 ! 183. 82 48 34 81 48 33 210626.7749 -0.0125 0.0500 184. 83 48 35 82 48 34 213281.9721 0.0150 0.0500 185. 89 48 41 88 48 40 229286.1787 0.0827 0.0500 ! 186. 84 49 35 83 49 34 215782.4650 -0.0225 0.0500 187. 85 49 36 84 49 35 218438.3850 -0.0336 0.0500 188. 89 49 40 88 49 39 229095.9602 0.0213 0.0500 ! 189. 83 50 33 82 50 32 212987.0442 0.0274 0.0500 190. 84 50 34 83 50 33 215634.1553 -0.0647 0.0500 191. 85 50 35 84 50 34 218284.5526 0.0340 0.0500 ! 192. 84 51 33 83 51 32 215494.7820 -0.0644 0.0500 193. 85 51 34 84 51 33 218139.9409 0.0529 0.0500 194. 89 51 38 88 51 37 228750.5427 -0.0016 0.0500 ! 195. 83 52 31 82 52 30 212726.2199 -0.0761 0.0500 196. 84 52 32 83 52 31 215363.6202 0.0090 0.0500 197. 85 52 33 84 52 32 218003.7335 -0.0017 0.0500 198. 89 52 37 88 52 36 228593.2082 -0.0635 0.0500 ! 199. 84 54 30 83 54 29 215122.8504 -0.0833 0.0500 200. 85 54 31 84 54 30 217754.1596 0.0408 0.0500 ! 201. 83 58 25 82 58 24 212099.9015 0.0619 0.0500 ! 202. 83 59 24 82 59 23 212013.3013 0.0167 0.0500 203. 84 59 25 83 59 24 214624.1455 -0.0366 0.0500 ! 204. 83 60 23 82 60 22 211930.8838 0.0076 0.0500 205. 84 60 24 83 60 23 214538.7774 -0.0019 0.0500 ! 206. 83 61 22 82 61 21 211852.2815 -0.0460 0.0500 207. 84 61 23 83 61 22 214457.2847 -0.1035 0.0500 208. 85 61 24 84 61 23 217064.2525 -0.1304 0.0500 ! 209. 83 62 21 82 62 20 211777.4602 0.0842 0.0500 ! 210. 84 63 21 83 63 20 214305.5558 -0.0156 0.0500 211. 85 63 22 84 63 21 216907.1901 0.0300 0.0500 212. 90 63 27 89 63 26 229942.9333 -0.0306 0.0500 ! 213. 83 64 19 82 64 18 211637.4220 0.0983 0.0500 214. 84 64 20 83 64 19 214234.6299 -0.0364 0.0500 215. 85 64 21 84 64 20 216833.6397 -0.1057 0.0500 216. 90 64 26 89 64 25 229855.9901 -0.0400 0.0500 ! 217. 83 65 18 82 65 17 211571.8260 0.0259 0.0500 218. 85 65 20 84 65 19 216763.4591 -0.0375 0.0500 ! 219. 83 66 17 82 66 16 211509.0596 0.0354 0.0500 220. 84 66 18 83 66 17 214101.7559 -0.0511 0.0500 ! ! bR ! ! 221. 52 22 31 51 21 30 213852.5014 -0.0278 0.0500 222. 52 22 30 51 21 31 213854.5532 0.0091 0.0500 223. 53 22 32 52 21 31 216152.2142 0.0033 0.0500 224. 54 22 32 53 21 33 218432.2582 0.0074 0.0500 225. 81 22 60 80 21 59 211682.2801 -0.0101 0.0500 226. 83 20 63 82 21 62 212695.7473 -0.0735 0.0500 227. 84 22 63 83 21 62 217200.6022 -0.0199 0.0500 ! 228. 49 23 27 48 22 26 210966.7053 -0.0352 0.0500 229.B 51 23 29 50 22 28 215762.8225 B 0.0589 0.0500 5.0E-05 215762.7283 230.B 51 23 28 50 22 29 215762.8225 B 0.0589 0.0500 5.0E-05 215762.7988 231.B 52 23 30 51 22 29 218136.3556 B 0.0275 0.0500 5.0E-05 218136.2438 232.B 52 23 29 51 22 30 218136.3556 B 0.0275 0.0500 5.0E-05 218136.4125 233. 90 21 69 89 22 68 228855.7526 -0.0494 0.0500 ! 234. 48 24 25 47 23 24 212609.8552 0.0198 0.0500 235. 49 24 26 48 23 25 215054.3678 0.0044 0.0500 236. 50 24 27 49 23 26 217487.9309 0.0530 0.0500 ! 237. 46 25 22 45 24 21 211678.5512 0.0210 0.0500 238. 47 25 23 46 24 22 214157.8320 -0.0075 0.0500 239. 48 25 24 47 24 23 216629.7118 0.0814 0.0500 240. 53 25 29 52 24 28 228850.9334 0.0421 0.0500 ! 241. 44 26 19 43 25 18 210641.6949 0.0042 0.0500 242. 46 26 21 45 25 20 215641.0501 0.0393 0.0500 243. 47 26 22 46 25 21 218132.3021 -0.0752 0.0500 ! 244. 43 27 17 42 26 16 212055.2225 -0.0051 0.0500 245. 44 27 18 43 26 17 214569.1176 -0.0287 0.0500 246. 45 27 19 44 26 18 217079.0943 -0.0031 0.0500 ! 247. 41 28 14 40 27 13 210918.4675 -0.0957 0.0500 248. 44 28 17 43 27 16 218485.4769 0.0095 0.0500 ! 249. 40 29 12 39 28 11 212284.0757 0.0471 0.0500 250. 41 29 13 40 28 12 214814.5258 -0.0907 0.0500 251. 47 29 19 46 28 18 229946.7315 0.0133 0.0500 ! 252. 38 30 9 37 29 8 211103.0725 -0.0098 0.0500 253. 39 30 10 38 29 9 213638.8912 0.0203 0.0500 254. 40 30 11 39 29 10 216173.3035 -0.0198 0.0500 255. 45 30 16 44 29 15 228818.9767 -0.0224 0.0500 ! 256. 37 31 7 36 30 6 212448.4219 -0.0368 0.0500 ! 257. 35 32 4 34 31 3 211249.8480 -0.0664 0.0500 258. 36 32 5 35 31 4 213789.9127 -0.0190 0.0500 259. 37 32 6 36 31 5 216329.3990 -0.0422 0.0500 260. 42 32 10 41 31 11 229015.1028 0.0733 0.0500 ! 261. 34 33 2 33 32 1 212588.4762 0.0112 0.0500 262. 36 33 4 35 32 3 217669.3740 -0.0437 0.0500 ! 263. 34 34 1 33 33 0 216466.9959 -0.0355 0.0500 ! 264. 36 36 1 35 35 0 229304.4832 -0.0315 0.0500 ! ! bQ ! 265. 67 55 12 67 54 13 210843.3685 -0.0092 0.0500 266. 68 55 13 68 54 14 210784.5616 -0.0493 0.0500 267. 69 55 14 69 54 15 210723.2724 0.0101 0.0500 268. 70 55 15 70 54 16 210659.1578 -0.0950 0.0500 ! 269. 63 56 7 63 55 8 214971.3422 0.0807 0.0500 270. 65 56 9 65 55 10 214875.5980 0.0093 0.0500 271. 68 56 12 68 55 13 214715.2462 0.0531 0.0500 272. 71 56 15 71 55 16 214532.8685 0.0630 0.0500 273. 73 56 17 73 55 18 214397.9448 -0.0417 0.0500 274. 75 56 19 75 55 20 214251.9128 0.0696 0.0500 275. 76 56 20 76 55 21 214174.3372 0.0193 0.0500 276. 77 56 21 77 55 22 214093.7550 0.0453 0.0500 277. 79 56 23 79 55 24 213922.9348 0.0427 0.0500 278. 80 56 24 80 55 25 213832.3915 -0.1105 0.0500 279. 81 56 25 81 55 26 213738.6719 0.0048 0.0500 280. 88 56 32 88 55 33 212977.0175 -0.0809 0.0500 281. 94 56 38 94 55 39 212158.9606 0.0243 0.0500 282. 95 56 39 95 55 40 212005.8556 0.0343 0.0500 283. 97 56 41 97 55 42 211683.9420 -0.1278 0.0500 284. 98 56 42 98 55 43 211515.2094 0.0509 0.0500 285. 99 56 43 99 55 44 211340.6838 -0.0170 0.0500 286. 101 56 45 101 55 46 210974.5005 -0.0541 0.0500 ! 287. 71 57 14 71 56 15 218468.3223 -0.0327 0.0500 288. 72 57 15 72 56 16 218405.5992 -0.0039 0.0500 289. 74 57 17 74 56 18 218272.2552 0.0412 0.0500 290. 75 57 18 75 56 19 218201.3931 -0.0305 0.0500 291. 76 57 19 76 56 20 218127.8558 0.0581 0.0500 292. 77 57 20 77 56 21 218051.1743 -0.0815 0.0500 293. 78 57 21 78 56 22 217971.7139 -0.0019 0.0500 294. 80 57 23 80 56 24 217803.3573 0.0530 0.0500 295. 82 57 25 82 56 26 217621.9080 0.0367 0.0500 296. 83 57 26 83 56 27 217526.1578 0.1103 0.0500 297. 86 57 29 86 56 30 217216.9874 -0.0380 0.0500 298. 87 57 30 87 56 31 217106.4027 -0.1080 0.0500 299. 92 57 35 92 56 36 216493.0042 -0.0119 0.0500 300. 93 57 36 93 56 37 216357.3300 -0.0431 0.0500 301. 94 57 37 94 56 38 216217.1031 -0.0470 0.0500 302. 95 57 38 95 56 39 216072.2052 -0.0227 0.0500 303. 96 57 39 96 56 40 215922.4097 -0.0746 0.0500 304. 101 57 44 101 56 45 215097.0384 0.0884 0.0500 305. 104 57 47 104 56 48 214535.3530 0.1138 0.0500 306. 109 57 52 109 56 53 213475.2432 -0.0796 0.0500 307. 110 57 53 110 56 54 213243.4103 0.1311 0.0500 308. 112 57 55 112 56 56 212757.7506 0.0675 0.0500 309. 113 57 56 113 56 57 212503.7187 -0.0234 0.0500 310. 115 57 58 115 56 59 211972.6389 0.0853 0.0500 311. 117 57 60 117 56 61 211408.8630 0.0161 0.0500 ! 312. 110 58 52 110 57 53 217448.6449 0.0056 0.0500 313. 111 58 53 111 57 54 217222.8998 0.0066 0.0500 314. 114 58 56 114 57 57 216504.0966 0.0337 0.0500 ! 315. 76 60 16 76 59 17 229955.9785 -0.0023 0.0500 316. 77 60 17 77 59 18 229890.0301 0.0548 0.0500 317. 78 60 18 78 59 19 229821.3247 -0.0906 0.0500 318. 79 60 19 79 59 20 229750.2236 -0.0070 0.0500 319. 85 60 25 85 59 26 229263.9512 0.0269 0.0500 320. 90 60 30 90 59 31 228772.5773 -0.0245 0.0500 321. 91 60 31 91 59 32 228663.9292 -0.0251 0.0500 322. 93 60 33 93 59 34 228435.4850 -0.0806 0.0500 ! ! waveguide FTMW, R-type ! ! aR ! 323. 6 0 6 5 0 5 13345.9967 0.0067 0.0100 324. 4 1 3 3 1 2 10799.5505 0.0059 0.0100 325. 5 1 5 4 1 4 11103.4128 0.0005 0.0100 326. 4 2 2 3 2 1 10709.6565 -0.0011 0.0100 327. 4 2 3 3 2 2 9989.1431 0.0021 0.0100 ! ! bR ! 328. 5 0 5 4 1 4 10822.7622 -0.0026 0.0100 329. 6 1 5 5 2 4 12774.2241 -0.0088 0.0100 330. 18 9 9 17 10 8 10450.7327 -0.0061 0.0100 331. 33 19 14 32 20 13 10112.5275 0.0197 0.0100 332. 38 22 16 37 23 15 11450.7669 -0.0035 0.0100 333. 41 24 17 40 25 16 11412.5363 -0.0076 0.0100 334. 42 25 17 41 26 16 10002.4682 0.0203 0.0100 335. 43 25 18 42 26 17 12790.8273 -0.0043 0.0100 336. 44 26 18 43 27 17 11377.2857 -0.0091 0.0100 337. 46 27 19 45 28 18 12754.0825 0.0115 0.0100 338. 47 28 19 46 29 18 11344.4983 -0.0183 0.0100 339. 50 30 20 49 31 19 11313.8570 -0.0032 0.0100 ! ! Q-type ! ! aQ ! 340. 11 3 8 11 3 9 10164.0386 0.0013 0.0100 341. 14 4 10 14 4 11 11382.8759 0.0217 0.0100 342. 22 7 15 22 7 16 9984.8083 0.0001 0.0100 343. 37 12 25 37 12 26 10139.3014 -0.0019 0.0100 344. 53 17 36 53 17 37 12774.9177 -0.0140 0.0100 345. 56 18 38 56 18 39 12272.5960 -0.0004 0.0100 346. 62 20 42 62 20 43 11187.3925 0.0061 0.0100 347. 65 21 44 65 21 45 10621.4766 0.0047 0.0100 ! ! bQ ! 348. 6 2 5 6 1 6 11142.7128 -0.0075 0.0100 349. 11 3 8 11 2 9 11391.8778 0.0148 0.0100 350. 7 4 3 7 3 4 12251.8349 0.0022 0.0100 351. 8 4 4 8 3 5 11389.2910 0.0005 0.0100 352. 9 4 5 9 3 6 10496.1638 0.0030 0.0100 353. 12 4 8 12 3 9 10126.0679 -0.0107 0.0100 354. 13 4 9 13 3 10 11339.9017 0.0116 0.0100 355. 13 5 8 13 4 9 12342.2219 0.0013 0.0200 356. 15 5 10 15 4 11 12137.6364 0.0016 0.0100 ------------------------------------------------------------------------------------------------------ Sigma = 0.048611 341 Distinct lines in fit Sigma.w = 1.014922 331 Degrees of freedom A /MHz 3213.03160(29) LJK /mHz 0.0 B /MHz 1493.196782(88) LKKJ/mHz 0.0 C /MHz 1020.689905(75) LK /mHz 0.0 DJ /kHz 0.0378293(50) lJ /mHz 0.0 DJK /kHz 0.153727(51) lJK /mHz 0.0 DK /kHz 0.31656(18) lKJ /mHz 0.0 dJ /kHz 0.0107520(20) lK /mHz 0.0 dK /kHz 0.117110(55) PJ /microHz 0.0 HJ / Hz 0.0 PJJK /microHz 0.0 HJK / Hz -0.0000162 PJK /microHz 0.0 HKJ / Hz -0.000369(11) PKJ /microHz 0.0 HK / Hz 0.000177(32) 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 0.7922 1.0000 C 0.3918 0.6454 1.0000 DJ 0.5701 0.8878 0.4858 1.0000 DJK 0.3677 0.3181 0.6552 0.1360 1.0000 DK 0.7700 0.3624 -0.1770 0.2302 -0.0936 1.0000 dJ 0.3725 0.5534 -0.1132 0.6445 -0.2995 0.3801 1.0000 dK 0.1874 0.2192 -0.1583 0.4279 0.1865 0.1460 0.2278 1.0000 HKJ 0.3369 0.3233 0.5043 0.2594 0.9196 -0.0747 -0.1707 0.4695 HK 0.6125 0.2082 -0.2863 0.0819 -0.2907 0.9546 0.3347 -0.0261 HKJ HK HKJ 1.0000 HK -0.3309 1.0000 Mean value of |C.ij|, i.ne.j = 0.3774 Mean value of C.ij, i.ne.j = 0.2876 Distribution of values of |C.ij|, i.ne.j: 10 20 30 40 50 60 ....,....|....,....|....,....|....,....|....,....|....,....|....,.. 1 <0.05 * 3 <0.10 *** 3 <0.15 *** 5 <0.20 ***** 4 <0.25 **** 4 <0.30 **** 5 <0.35 ***** 5 <0.40 ***** 1 <0.45 * 2 <0.50 ** 1 <0.55 * 2 <0.60 ** 3 <0.65 *** 1 <0.70 * 0 <0.75 2 <0.80 ** 0 <0.85 1 <0.90 * 1 <0.95 * 1 <1.00 * _______________________________________________________________________________ There are no influential transitions with hjj > 0.500 mean of all values = 0.0287 WORST FITTING LINES (line number=(o-c)/error): 132= -2.7 307= 2.6 208= -2.6 283= -2.6 96= -2.4 113= 2.4 131= -2.3 _______________________________________________________________________________