ASFIT version 14.IV.2008 _______________________________________________________________________________ Salicyl aldehyde, va state ( 143cm-1) _______________________________________________________________________________ Fit of Watson's Hamiltonian --> reduction-A, representation-I.r : A = 3205.9111968304268884822 +- 0.0002070703160857055 B = 1494.2305917745529768581 +- 0.0000777930158297233 C = 1020.9733046523290340701 +- 0.0000692261854813570 DJ = 0.0000381470128601903 +- 0.0000000045567567606 DJK = 0.0001594812297432102 +- 0.0000000566043400489 DK = 0.0003070872804839131 +- 0.0000000854679045446 dJ = 0.0000108601972700258 +- 0.0000000012751287484 dK = 0.0001183929695419380 +- 0.0000000406694013354 HJK = -0.0000000000134093354 +- 0.0000000000042711563 HKJ = -0.0000000004241409673 +- 0.0000000000077629982 HK = 0.0000000003042185438 +- 0.0000000000144273476 Deviation of fit = 0.044364 Weighted deviation of fit = 0.966396 ------------------------------------------------------------------------------------------------------ TRANSITION Observed Obs-Calc Error Note Blend components ------------------------------------------------------------------------------------------------------ ! ! IFPAN MMW ! ! type-II bandheads ! 1. 106 0 106 105 0 105 217383.7327 -0.1086 0.0500 2. 105 1 104 104 1 103 217375.5981 0.0082 0.0500 3. 104 2 102 103 2 101 217367.5466 -0.0110 0.0500 4. 103 3 100 102 3 99 217360.0157 -0.0221 0.0500 5. 102 4 98 101 4 97 217353.4222 0.0355 0.0500 6. 101 5 96 100 5 95 217348.0566 0.0187 0.0500 7. 100 6 94 99 6 93 217344.5314 0.0101 0.0500 8. 98 8 90 97 8 89 217345.7209 -0.0160 0.0500 9. 97 9 88 96 9 87 217352.3443 0.0782 0.0500 10. 96 11 86 95 10 85 217364.2990 -0.0197 0.0500 11. 94 13 82 93 12 81 217411.6782 -0.0193 0.0500 12. 93 13 80 92 13 79 217451.6123 0.0150 0.0500 13. 92 14 78 91 14 77 217506.5178 -0.0133 0.0500 14. 91 16 76 90 15 75 217580.9727 -0.0091 0.0500 15. 90 16 74 89 16 73 217681.0532 0.0093 0.0500 16. 89 17 72 88 17 71 217815.1877 -0.0374 0.0500 17. 88 19 70 87 18 69 217995.8186 0.0059 0.0500 18.B 87 20 68 86 20 67 218241.4761 B 0.1313 0.0500 1.7E-04 218241.3250 19.B 87 19 68 86 19 67 218241.4761 B 0.1313 0.0500 1.7E-04 218241.3645 ! 20. 105 0 105 104 0 104 215344.1033 -0.0072 0.0500 21. 104 1 103 103 1 102 215335.8964 0.0320 0.0500 22. 104 2 103 103 2 102 215335.8964 0.0320 0.0500 23. 103 3 101 102 3 100 215327.8824 0.0363 0.0500 24. 102 3 99 101 3 98 215320.3483 -0.0069 0.0500 25.B 101 5 97 100 4 96 215313.7681 B -0.0169 0.0500 8.2E-05 215313.7566 26.B 96 9 87 95 9 86 215313.7681 B -0.0169 0.0500 7.0E-05 215313.8187 27. 100 5 95 99 5 94 215308.5037 0.0080 0.0500 28. 99 6 93 98 6 92 215305.1303 0.0129 0.0500 29. 98 7 91 97 7 90 215304.2472 -0.0451 0.0500 30. 97 8 89 96 8 88 215306.8199 -0.0290 0.0500 31. 95 10 85 94 10 84 215326.5104 0.0160 0.0500 32. 94 11 83 93 11 82 215346.4691 -0.0420 0.0500 33. 93 12 81 92 12 80 215376.0031 0.0443 0.0500 34. 92 13 79 91 13 78 215417.5528 0.0107 0.0500 35. 91 14 77 90 14 76 215474.8310 0.0162 0.0500 36. 90 15 75 89 15 74 215552.5346 0.0035 0.0500 37. 89 16 73 88 16 72 215657.1945 -0.0011 0.0500 38. 88 17 71 87 17 70 215797.9646 0.0046 0.0500 39. 87 18 69 86 18 68 215988.1536 -0.0180 0.0500 40.B 86 20 67 85 20 66 216248.2320 B -0.0062 0.0500 1.8E-04 216248.1997 41.B 86 19 67 85 19 66 216248.2320 B -0.0062 0.0500 1.8E-04 216248.2768 ! 42. 104 0 104 103 0 103 213304.3503 0.0123 0.0500 43. 103 1 102 102 1 101 213296.0591 -0.0384 0.0500 44. 102 2 100 101 2 99 213288.0263 -0.0669 0.0500 45. 101 3 98 100 3 97 213280.6471 0.0151 0.0500 46. 100 4 96 99 4 95 213274.0849 -0.0027 0.0500 47. 99 5 94 98 5 93 213268.9198 0.0025 0.0500 48. 98 6 92 97 6 91 213265.6672 -0.0149 0.0500 49. 97 7 90 96 7 89 213265.0991 0.0256 0.0500 50. 96 8 88 95 8 87 213267.9425 -0.0061 0.0500 51. 95 9 86 94 9 85 213275.3940 0.0173 0.0500 52. 94 10 84 93 10 83 213288.7849 0.0828 0.0500 53. 93 11 82 92 11 81 213309.6929 0.0624 0.0500 54. 92 12 80 91 12 79 213340.3316 -0.0183 0.0500 55. 91 13 78 90 13 77 213383.7303 0.0269 0.0500 56. 90 14 76 89 14 75 213443.5099 0.0657 0.0500 57. 89 15 74 88 15 73 213524.5640 -0.0575 0.0500 58. 88 16 72 87 16 71 213634.1770 -0.0121 0.0500 59. 87 17 70 86 17 69 213781.9596 -0.0522 0.0500 60. 86 18 68 85 18 67 213982.6254 -0.0059 0.0500 61.B 85 20 66 84 20 65 214258.5866 B -0.0026 0.0500 1.8E-04 214258.5145 62.B 85 19 66 84 19 65 214258.5866 B -0.0026 0.0500 1.8E-04 214258.6639 ! 63. 103 0 103 102 0 102 211264.5381 0.0137 0.0500 64. 102 1 101 101 1 100 211256.2921 0.0027 0.0500 65. 101 2 99 100 2 98 211248.3218 0.0222 0.0500 66. 100 3 97 99 3 96 211240.8552 -0.0136 0.0500 67. 99 4 95 98 4 94 211234.4080 0.0279 0.0500 68.B 98 5 93 97 5 92 211229.1615 B -0.0109 0.0500 1.9E-04 211229.3033 69.B 95 8 87 94 8 86 211229.1615 B -0.0109 0.0500 1.8E-04 211229.0379 70.B 96 7 89 95 7 88 211226.0518 B 0.0268 0.0500 1.8E-04 211225.8320 71.B 97 6 91 96 6 90 211226.0518 B 0.0268 0.0500 1.9E-04 211226.2160 72. 94 9 85 93 9 84 211236.9753 0.0323 0.0500 73. 93 10 83 92 10 82 211250.9346 -0.0117 0.0500 74. 92 11 81 91 11 80 211272.8098 -0.0186 0.0500 75. 90 13 77 89 13 76 211350.1041 0.0059 0.0500 76. 89 14 75 88 14 74 211412.4722 0.0258 0.0500 77. 88 15 73 87 15 72 211497.3096 0.0134 0.0500 78. 87 16 71 86 16 70 211612.1046 0.0096 0.0500 79. 86 17 69 85 17 68 211767.4817 -0.0185 0.0500 80.B 85 19 67 84 19 66 211979.4344 B 0.0395 0.0500 1.8E-04 211979.3876 81.B 85 18 67 84 18 66 211979.4344 B 0.0395 0.0500 1.8E-04 211979.4021 82.B 84 20 65 83 20 64 212272.7730 B -0.0241 0.0500 1.8E-04 212272.6532 83.B 84 19 65 83 19 64 212272.7730 B -0.0241 0.0500 1.8E-04 212272.9409 ! 84. 111 1 110 110 1 109 229613.0432 -0.0050 0.0500 85. 110 2 108 109 2 107 229604.8875 -0.0507 0.0500 86. 109 3 106 108 3 105 229597.2101 -0.0492 0.0500 87. 108 4 104 107 4 103 229590.3667 0.0455 0.0500 88. 107 5 102 106 5 101 229584.4972 0.0001 0.0500 89. 106 6 100 105 6 99 229580.2761 0.0389 0.0500 90. 104 8 96 103 8 95 229578.6996 -0.0113 0.0500 91. 105 7 98 104 7 97 229578.0892 0.0022 0.0500 92. 103 9 94 102 9 93 229582.9028 -0.0181 0.0500 93. 102 10 92 101 10 91 229591.7422 0.0248 0.0500 94. 101 11 90 100 11 89 229606.3399 0.0001 0.0500 95. 100 12 88 99 12 87 229628.4111 0.0732 0.0500 96. 99 13 86 98 13 85 229659.6193 -0.0485 0.0500 97. 98 14 84 97 14 83 229702.7982 -0.0288 0.0500 98. 97 15 82 96 15 81 229761.0654 0.0174 0.0500 99. 96 16 80 95 16 79 229838.5797 -0.0041 0.0500 100. 95 17 78 94 17 77 229941.1539 0.0128 0.0500 ! ! High K-1 tails ! 101. 82 20 62 81 20 61 210745.4411 -0.0077 0.0500 102. 83 20 63 82 20 62 212692.7781 0.0483 0.0500 103.B 84 20 64 83 20 63 214649.1912 B 0.1214 0.0500 1.8E-04 214648.7870 104.B 81 22 59 80 22 58 214649.1912 B 0.1214 0.0500 1.8E-04 214649.3420 105. 85 20 65 84 20 64 216612.2521 0.0361 0.0500 106.B 91 20 71 90 20 70 228501.2178 B 0.0421 0.0500 1.7E-04 228501.1895 107.B 91 21 71 90 21 70 228501.2178 B 0.0421 0.0500 1.7E-04 228501.1619 ! 108. 82 21 62 81 21 61 210736.7689 -0.0453 0.0500 109. 83 21 63 82 21 62 212688.0264 0.0094 0.0500 110. 84 21 64 83 21 63 214646.2393 0.0004 0.0500 111. 85 21 65 84 21 64 216610.7992 -0.0512 0.0500 ! 112. 79 22 57 78 22 56 211658.1151 0.0136 0.0500 113. 80 22 58 79 22 57 213085.3511 0.0377 0.0500 114. 81 22 60 80 22 59 211373.0768 0.0152 0.0500 115. 82 22 60 81 22 59 216320.0399 -0.0076 0.0500 116. 82 22 61 81 22 60 213283.8480 -0.0675 0.0500 117. 83 22 61 82 22 60 218069.3345 -0.0212 0.0500 ! 118. 76 23 53 75 23 52 212203.9262 0.0386 0.0500 119. 77 23 54 76 23 53 214247.0410 0.0295 0.0500 120. 79 23 56 78 23 55 216975.3934 -0.0203 0.0500 121. 80 23 58 79 23 57 212116.8379 -0.0140 0.0500 122. 80 23 57 79 23 56 218016.9799 -0.0167 0.0500 123. 81 23 59 80 23 58 214043.3659 -0.0023 0.0500 124. 82 23 60 81 23 59 215949.7149 0.0157 0.0500 125. 89 23 67 88 23 66 229331.5996 -0.1025 0.0500 ! 126. 76 24 52 75 24 51 210855.9999 0.0061 0.0500 127. 78 24 54 77 24 53 217977.0667 0.0133 0.0500 128. 79 24 56 78 24 55 212195.7939 0.0326 0.0500 129. 80 24 57 79 24 56 214409.2763 -0.0266 0.0500 130. 81 24 58 80 24 57 216519.7360 -0.0272 0.0500 131. 85 24 61 84 24 60 228943.0528 0.0412 0.0500 ! 132. 78 25 53 77 25 52 214831.4039 0.0218 0.0500 133. 79 25 55 78 25 54 213036.4762 -0.0508 0.0500 134. 80 25 56 79 25 55 215668.3990 0.0013 0.0500 135. 81 25 57 80 25 56 218166.8100 -0.0895 0.0500 136. 82 25 57 81 25 56 229254.3387 -0.0376 0.0500 137. 86 25 62 85 25 61 228917.7516 0.0050 0.0500 ! 138. 78 26 52 77 26 51 210927.6317 0.0342 0.0500 139. 79 26 53 78 26 52 214703.7794 -0.0428 0.0500 140. 79 26 54 78 26 53 212607.6818 0.0195 0.0500 141. 85 26 60 84 26 59 228863.7091 -0.0944 0.0500 ! 142. 79 27 52 78 27 51 211988.7233 -0.0300 0.0500 143. 80 27 54 79 27 53 214610.9943 -0.0024 0.0500 144. 81 27 55 80 27 54 217690.5108 0.0125 0.0500 145. 85 27 59 84 27 58 229487.2588 -0.0193 0.0500 ! 146. 80 28 53 79 28 52 213427.3085 -0.1330 0.0500 147. 80 28 52 79 28 51 213572.1814 0.0241 0.0500 148. 81 28 53 80 28 52 216760.4385 -0.0831 0.0500 ! 149. 80 29 51 79 29 50 212383.9783 -0.1244 0.0500 150. 80 29 52 79 29 51 212361.8158 0.0441 0.0500 151. 81 29 52 80 29 51 215421.4669 0.0584 0.0500 152. 81 29 53 80 29 52 215380.1204 0.0403 0.0500 153. 82 29 54 81 29 53 218422.7540 -0.0290 0.0500 154. 82 29 53 81 29 52 218497.8744 -0.0164 0.0500 ! 155. 80 30 50 79 30 49 211470.5992 0.0558 0.0500 156. 80 30 51 79 30 50 211467.6521 0.0893 0.0500 157. 81 30 52 80 30 51 214424.2653 0.0159 0.0500 158. 81 30 51 80 30 50 214429.9918 -0.0447 0.0500 159. 82 30 52 81 30 51 217413.4887 0.1020 0.0500 ! 160.B 80 31 49 79 31 48 210716.1815 B -0.0072 0.0500 1.0E+00 210716.3644 161.B 80 31 50 79 31 49 210716.1815 B -0.0072 0.0500 1.0E+00 210716.0129 162. 81 31 50 80 31 49 213623.9569 -0.0070 0.0500 163. 81 31 51 80 31 50 213623.2763 0.0250 0.0500 164. 82 31 52 81 31 51 216547.7564 -0.0217 0.0500 165. 82 31 51 81 31 50 216549.1844 -0.0158 0.0500 166. 86 31 56 85 31 55 228445.1264 0.0562 0.0500 167. 86 31 55 85 31 54 228464.3898 0.0577 0.0500 ! 168.B 81 32 50 80 32 49 212942.0539 B -0.0195 0.0500 1.5E-04 212942.0343 169.B 81 32 49 80 32 48 212942.0539 B -0.0195 0.0500 1.5E-04 212942.1126 170.B 82 32 51 81 32 50 215824.4289 B -0.0703 0.0500 1.5E-04 215824.4178 171.B 82 32 50 81 32 49 215824.4289 B -0.0703 0.0500 1.5E-04 215824.5806 ! 172. 81 33 48 80 33 47 212352.9997 -0.0546 0.0500 173.B 83 33 51 82 33 50 218062.8780 B -0.0025 0.0500 1.5E-04 218062.8627 174.B 83 33 50 82 33 49 218062.8780 B -0.0025 0.0500 1.5E-04 218062.8984 175. 87 33 55 86 33 54 229648.8441 -0.1429 0.0500 ! 176. 81 34 47 80 34 46 211836.8736 0.0145 0.0500 177. 82 34 49 81 34 48 214657.8141 0.0703 0.0500 178. 83 34 49 82 34 48 217489.3423 -0.0051 0.0500 179. 83 34 50 82 34 49 217489.3423 -0.0017 0.0500 180.B 87 34 54 86 34 53 228934.5775 B -0.0390 0.0500 1.0E+00 228934.5808 181.B 87 34 53 86 34 52 228934.5775 B -0.0390 0.0500 1.0E+00 228934.6522 ! 182. 81 35 46 80 35 45 211379.5640 -0.0278 0.0500 183. 82 35 47 81 35 46 214177.1342 -0.0018 0.0500 184. 83 35 48 82 35 47 216983.9996 -0.0163 0.0500 ! 185. 81 36 45 80 36 44 210971.0262 0.0245 0.0500 186. 82 36 46 81 36 45 213748.5425 -0.0144 0.0500 187. 83 36 47 82 36 46 216534.3453 -0.0286 0.0500 ! 188. 81 37 44 80 37 43 210603.3582 0.0686 0.0500 189. 82 37 45 81 37 44 213363.4845 0.0048 0.0500 190. 83 37 46 82 37 45 216131.0311 -0.0415 0.0500 ! 191. 82 38 44 81 38 43 213015.2743 -0.0200 0.0500 192. 83 38 45 82 38 44 215766.9236 0.0014 0.0500 193. 88 38 50 87 38 49 229633.7377 0.0409 0.0500 ! 194. 82 39 43 81 39 42 212698.7583 -0.0041 0.0500 195. 83 39 44 82 39 43 215436.3421 0.0812 0.0500 196. 84 39 45 83 39 44 218180.0472 -0.0096 0.0500 197. 88 39 49 87 39 48 229222.2510 -0.0099 0.0500 ! 198. 82 40 42 81 40 41 212409.6120 -0.0443 0.0500 199. 83 40 43 82 40 42 215134.6657 0.1231 0.0500 200. 84 40 44 83 40 43 217865.2509 0.0471 0.0500 201. 88 40 48 87 40 47 228849.0004 -0.0152 0.0500 ! 202. 82 41 41 81 41 40 212144.4265 -0.0846 0.0500 203. 83 41 42 82 41 41 214858.0626 0.0047 0.0500 204. 84 41 43 83 41 42 217576.8583 -0.0747 0.0500 205. 88 41 47 87 41 46 228508.6055 -0.0416 0.0500 ! 206. 82 42 40 81 42 39 211900.5399 0.0893 0.0500 207. 83 42 41 82 42 40 214603.7465 0.0084 0.0500 208. 84 42 42 83 42 41 217311.9482 -0.0196 0.0500 ! 209. 82 43 39 81 43 38 211675.0284 -0.0313 0.0500 210. 83 43 40 82 43 39 214369.0547 0.0399 0.0500 211. 84 43 41 83 43 40 217067.5680 -0.0072 0.0500 ! 212. 82 44 38 81 44 37 211466.3065 0.0158 0.0500 213. 83 44 39 82 44 38 214151.6909 -0.0257 0.0500 214. 84 44 40 83 44 39 216841.4254 -0.0250 0.0500 ! 215. 83 45 38 82 45 37 213950.0277 0.0370 0.0500 216. 84 45 39 83 45 38 216631.6226 -0.0097 0.0500 ! 217. 83 46 37 82 46 36 213762.2453 0.0007 0.0500 218. 84 46 38 83 46 37 216436.4264 -0.0118 0.0500 219. 89 46 43 88 46 42 229867.3578 0.0359 0.0500 ! 220. 82 47 35 81 47 34 210923.3904 0.0101 0.0500 221. 84 47 37 83 47 36 216254.3942 -0.0197 0.0500 222. 89 47 42 88 47 41 229647.4191 -0.0279 0.0500 ! 223. 82 48 34 81 48 33 210765.7619 -0.0535 0.0500 224. 84 48 36 83 48 35 216084.3414 0.0464 0.0500 225. 89 48 41 88 48 40 229442.2353 -0.1116 0.0500 ! 226. 82 49 33 81 49 32 210618.1140 -0.0495 0.0500 227. 84 49 35 83 49 34 215924.9623 -0.0125 0.0500 228. 89 49 40 88 49 39 229250.5965 0.0005 0.0500 ! 229. 83 50 33 82 50 32 213125.9962 0.0188 0.0500 230. 84 50 34 83 50 33 215775.4673 -0.0133 0.0500 231. 85 50 35 84 50 34 218428.0909 -0.0147 0.0500 232. 89 50 39 88 50 38 229070.9521 0.0019 0.0500 ! 233. 83 51 32 82 51 31 212990.5925 -0.0079 0.0500 234. 84 51 33 83 51 32 215634.9612 0.0086 0.0500 235. 85 51 34 84 51 33 218282.2544 -0.0213 0.0500 236. 89 51 38 88 51 37 228902.3211 0.0044 0.0500 ! 237. 83 52 31 82 52 30 212863.0583 -0.0379 0.0500 238. 84 52 32 83 52 31 215502.6272 -0.0010 0.0500 239. 85 52 33 84 52 32 218145.0175 0.0254 0.0500 240. 89 52 37 88 52 36 228743.7313 -0.0004 0.0500 ! 241. 83 53 30 82 53 29 212742.7487 -0.0670 0.0500 242. 84 53 31 83 53 30 215377.8441 0.0165 0.0500 243. 85 53 32 84 53 31 218015.4921 -0.0511 0.0500 244. 89 53 36 88 53 35 228594.3492 0.0084 0.0500 ! 245. 83 54 29 82 54 28 212629.1771 -0.0006 0.0500 246. 84 54 30 83 54 29 215259.9835 0.0404 0.0500 247. 85 54 31 84 54 30 217893.2449 -0.0486 0.0500 ! 248. 83 55 28 82 55 27 212521.6013 -0.0594 0.0500 249. 85 55 30 84 55 29 217777.6695 -0.0036 0.0500 250. 89 54 35 88 54 34 228453.4027 0.0194 0.0500 ! 251. 83 56 27 82 56 26 212419.7761 -0.0187 0.0500 252. 84 56 28 83 56 27 215042.7914 -0.0047 0.0500 253. 85 56 29 84 56 28 217668.1481 -0.0216 0.0500 ! 254. 83 57 26 82 57 25 212323.1943 0.0387 0.0500 255. 84 57 27 83 57 26 214942.6258 0.0258 0.0500 256. 85 57 28 84 57 27 217564.3129 -0.0079 0.0500 ! 257. 83 58 25 82 58 24 212231.3035 -0.0555 0.0500 258. 84 58 26 83 58 25 214847.4225 -0.0179 0.0500 259. 85 58 27 84 58 26 217465.6907 -0.0176 0.0500 ! 260. 84 59 25 83 59 24 214756.9691 0.0156 0.0500 ! 261. 83 60 23 82 60 22 212060.9699 0.0400 0.0500 ! 262. 83 61 22 82 61 21 211981.7218 0.0313 0.0500 263. 84 61 23 83 61 22 214588.7387 0.0351 0.0500 264. 85 61 24 84 61 23 217197.6180 -0.0477 0.0500 ! 265. 83 62 21 82 62 20 211906.1202 0.0466 0.0500 266. 84 62 22 83 62 21 214510.4295 0.0658 0.0500 267. 85 62 23 84 62 22 217116.5851 0.0524 0.0500 ! 268. 84 63 21 83 63 20 214435.5167 -0.0198 0.0500 269. 85 63 22 84 63 21 217039.0829 0.0342 0.0500 ! 270. 83 64 19 82 64 18 211764.7544 -0.0042 0.0500 271. 84 64 20 83 64 19 214364.0119 0.0211 0.0500 272. 85 64 21 84 64 20 216964.9544 -0.0188 0.0500 ! 273. 83 65 18 82 65 17 211698.5782 -0.0560 0.0500 274. 84 65 19 83 65 18 214295.5383 0.0240 0.0500 ! 275. 84 66 18 83 66 17 214229.8864 -0.0250 0.0500 276. 85 66 19 84 66 18 216826.1898 0.0085 0.0500 277. 90 66 24 89 66 23 229832.8867 0.0645 0.0500 ! 278. 83 67 16 82 67 15 211574.4960 -0.0145 0.0500 ! 279. 84 68 16 83 68 15 214106.6224 0.0028 0.0500 280. 85 68 17 84 68 16 216698.6218 0.0305 0.0500 ! 281. 85 69 16 84 69 15 216638.6111 0.0385 0.0500 ! 282. 84 70 14 83 70 13 213992.8556 0.0228 0.0500 283. 85 70 15 84 70 14 216580.8821 0.0121 0.0500 ! 284. 84 71 13 83 71 12 213939.1602 0.0062 0.0500 285. 85 71 14 84 71 13 216525.3924 0.0456 0.0500 ! 286. 84 73 11 83 73 10 213837.5740 -0.0380 0.0500 287. 85 73 12 84 73 11 216420.2523 -0.0852 0.0500 288. 90 73 17 89 73 16 229354.2154 0.0117 0.0500 ! 289. 83 74 9 82 74 8 211209.7272 0.0212 0.0500 290. 85 74 11 84 74 10 216370.6296 0.0062 0.0500 ! 291. 83 75 8 82 75 7 211164.7771 -0.0353 0.0500 292. 85 75 10 84 75 9 216322.5385 -0.0919 0.0500 ! 293. 84 76 8 83 76 7 213698.2599 0.0150 0.0500 294. 90 76 14 89 76 13 229184.8935 0.0104 0.0500 ! 295. 85 77 8 84 77 7 216231.4499 0.0180 0.0500 296. 90 77 13 89 77 12 229132.3754 0.1048 0.0500 ! ! bR ! 297. 55 18 37 54 17 38 211955.3555 0.0444 0.0500 ! 298. 57 19 38 56 18 39 216555.6282 -0.0206 0.0500 ! 299. 56 20 36 55 19 37 213556.1265 -0.0680 0.0500 ! 300. 51 22 29 50 21 30 211251.8862 0.0967 0.0500 301. 52 22 30 51 21 31 213577.2779 -0.0101 0.0500 302. 53 22 31 52 21 32 215878.2328 -0.0342 0.0500 303. 59 22 38 58 21 37 228744.5161 0.0508 0.0500 ! 304. 49 23 27 48 22 26 210678.0103 -0.0457 0.0500 305.B 50 23 27 49 22 28 213083.9191 B 0.0129 0.0500 6.0E-05 213083.9223 306.B 50 23 28 49 22 27 213083.9191 B 0.0129 0.0500 6.0E-05 213083.8901 ! 307. 48 24 25 47 23 24 212306.7987 0.0895 0.0500 308. 49 24 26 48 23 25 214751.8040 -0.0598 0.0500 309. 50 24 27 49 23 26 217185.8946 0.0074 0.0500 ! 310. 47 25 23 46 24 22 213839.2406 -0.0470 0.0500 311. 48 25 24 47 24 23 216312.0417 0.0641 0.0500 312. 53 25 29 52 24 28 228536.3315 -0.0009 0.0500 ! 313. 45 26 20 44 25 19 212808.2484 0.0029 0.0500 314. 47 26 22 46 25 21 217798.8251 -0.0457 0.0500 ! 315. 43 27 17 42 26 16 211701.7054 0.0002 0.0500 316. 44 27 18 43 26 17 214216.8860 -0.0102 0.0500 317. 45 27 19 44 26 18 216728.0885 0.0021 0.0500 ! 318. 43 28 16 42 27 15 215597.1059 0.0264 0.0500 319. 44 28 17 43 27 16 218117.8048 0.0318 0.0500 ! 320. 40 29 12 39 28 11 211895.3075 -0.0119 0.0500 321. 41 29 13 40 28 12 214427.2709 -0.0398 0.0500 322. 42 29 14 41 28 13 216957.2214 -0.0118 0.0500 ! 323. 38 30 9 37 29 8 210695.8778 0.0162 0.0500 324. 39 30 10 38 29 9 213233.0799 -0.0129 0.0500 325. 40 30 11 39 29 10 215768.9526 -0.0246 0.0500 326. 41 30 12 40 29 11 218303.3169 -0.0188 0.0500 327. 45 30 16 44 29 15 228421.5868 -0.0145 0.0500 ! 328. 37 31 7 36 30 6 212024.0959 -0.0135 0.0500 329. 38 31 8 37 30 7 214563.6330 0.0046 0.0500 330. 39 31 9 38 30 8 217102.2010 0.0009 0.0500 331. 44 31 14 43 30 13 229775.3095 -0.0410 0.0500 ! 332. 35 32 4 34 31 3 210806.9409 -0.0051 0.0500 333. 36 32 5 35 31 4 213348.4777 0.0419 0.0500 334. 38 32 7 37 31 6 218429.7457 -0.0157 0.0500 335. 42 32 11 41 31 10 228582.2355 -0.0113 0.0500 ! 336. 34 33 2 33 32 1 212128.3306 -0.0101 0.0500 337. 35 33 3 34 32 2 214670.5800 0.1484 0.0500 338. 41 33 9 40 32 8 229913.3376 -0.0966 0.0500 ! 339. 34 34 1 33 33 0 215991.2422 0.0084 0.0500 340. 39 34 6 38 33 5 228699.3964 -0.0114 0.0500 ! ! bQ ! 341. 60 56 4 60 55 5 214227.7805 0.1312 0.0500 342. 61 56 5 61 55 6 214186.6158 0.0181 0.0500 343. 64 56 8 64 55 9 214051.3249 -0.0015 0.0500 344. 65 56 9 65 55 10 214001.9785 0.0039 0.0500 345. 67 56 11 67 55 12 213896.4849 0.0207 0.0500 346. 72 56 16 72 55 17 213589.7077 0.1308 0.0500 347. 73 56 17 73 55 18 213520.1854 -0.0131 0.0500 348. 76 56 20 76 55 21 213294.6199 0.0104 0.0500 349. 77 56 21 77 55 22 213213.4358 0.1232 0.0500 350. 80 56 24 80 55 25 212949.9131 0.0304 0.0500 351. 82 56 26 82 55 27 212756.9652 -0.0884 0.0500 352. 83 56 27 83 55 28 212655.1219 -0.0657 0.0500 353. 84 56 28 84 55 29 212549.6022 0.0480 0.0500 354. 86 56 30 86 55 31 212326.5475 -0.0247 0.0500 355. 88 56 32 88 55 33 212087.2318 -0.0255 0.0500 356. 89 56 33 89 55 34 211961.3034 0.1046 0.0500 357. 90 56 34 90 55 35 211830.8515 0.1313 0.0500 358. 91 56 35 91 55 36 211695.7701 0.0665 0.0500 359. 92 56 36 92 55 37 211555.9557 -0.0724 0.0500 ! 360. 65 57 8 65 56 9 217905.6484 0.0558 0.0500 361. 67 57 10 67 56 11 217805.2316 0.0018 0.0500 362. 76 57 19 76 56 20 217233.2366 -0.0301 0.0500 363. 82 57 25 82 56 26 216723.0157 0.0086 0.0500 364. 84 57 27 84 56 28 216526.1673 -0.0045 0.0500 365. 86 57 29 86 56 30 216314.7304 0.0073 0.0500 366. 87 57 30 87 56 31 216203.2498 -0.0228 0.0500 367. 88 57 31 88 56 32 216087.8211 -0.0476 0.0500 368. 89 57 32 89 56 33 215968.4334 0.0264 0.0500 369. 90 57 33 90 56 34 215844.7287 -0.0514 0.0500 370. 91 57 34 91 56 35 215716.9799 0.1012 0.0500 371. 92 57 35 92 56 36 215584.5812 -0.0094 0.0500 372. 93 57 36 93 56 37 215447.7869 -0.0140 0.0500 373. 96 57 39 96 56 40 215009.1233 -0.1094 0.0500 374. 98 57 41 98 56 42 214692.1190 0.0073 0.0500 375. 100 57 43 100 56 44 214354.0087 0.0316 0.0500 376. 102 57 45 102 56 46 213993.7596 0.0393 0.0500 377. 105 57 48 105 56 49 213409.1978 -0.0807 0.0500 378.? 106 57 49 106 56 50 213202.2460 0.1527 0.0500 >3*Err 379. 109 57 52 109 56 53 212541.1223 0.0259 0.0500 380. 111 57 54 111 56 55 212065.7902 0.0045 0.0500 381. 112 57 55 112 56 56 211817.1737 0.0006 0.0500 ! 382. 100 58 42 100 57 43 218434.7455 -0.0588 0.0500 383. 102 58 44 102 57 45 218093.8550 0.0174 0.0500 384. 103 58 45 103 57 46 217915.1791 -0.0461 0.0500 385. 105 58 47 105 57 48 217541.0106 -0.0319 0.0500 386. 107 58 49 107 57 50 217143.2289 -0.0415 0.0500 387. 108 58 50 108 57 51 216935.2546 0.0992 0.0500 388. 117 58 59 117 57 60 214754.7337 0.0644 0.0500 389. 120 58 62 120 57 63 213889.9568 0.0109 0.0500 ! 390. 69 60 9 69 59 10 229416.3982 -0.1406 0.0500 391. 70 60 10 70 59 11 229366.1590 0.0515 0.0500 392. 75 60 15 75 59 16 229080.8407 -0.0993 0.0500 393. 78 60 18 78 59 19 228881.0132 -0.0841 0.0500 394. 79 60 19 79 59 20 228809.3123 0.0270 0.0500 395. 80 60 20 80 59 21 228734.8133 0.0575 0.0500 396. 83 60 23 83 59 24 228494.1858 0.0615 0.0500 397. 84 60 24 84 59 25 228408.0140 0.0347 0.0500 ! 398. 104 61 43 104 60 44 229984.4489 -0.1390 0.0500 399. 107 61 46 107 60 47 229483.5927 -0.0723 0.0500 400. 109 61 48 109 60 49 229124.2010 0.0522 0.0500 401. 111 61 50 111 60 51 228742.8961 -0.1062 0.0500 402. 112 61 51 112 60 52 228543.9460 -0.0401 0.0500 ! ! waveguide FTMW, R-type ! ! aR ! 403. 5 0 5 4 0 4 11352.5846 0.0130 0.0100 404. 6 0 6 5 0 5 13347.6433 0.0019 0.0100 ! 405. 4 1 3 3 1 2 10804.7200 0.0151 0.0100 406. 5 1 4 4 1 3 13281.2121 -0.0088 0.0100 407. 5 1 5 4 1 4 11106.5017 -0.0014 0.0100 408. 6 1 6 5 0 5 13483.5201 -0.0285 0.0100 ! 409. 4 2 3 3 2 2 9993.9335 -0.0013 0.0100 410. 5 2 4 4 2 3 12387.0086 -0.0023 0.0100 ! 411. 5 3 3 4 3 2 12781.2435 -0.0001 0.0100 ! 412. 5 4 2 4 4 1 12764.9788 0.0208 0.0100 ! ! bR ! 413. 5 0 5 4 1 4 10829.9075 0.0003 0.0100 414. 6 1 5 5 2 4 12801.8529 0.0020 0.0100 415. 2 2 1 1 1 0 10638.7009 0.0031 0.0100 416. 7 2 5 6 3 4 12167.9021 0.0045 0.0100 417. 12 5 8 11 6 5 10468.3314 -0.0173 0.0100 418. 14 6 9 13 7 6 12119.8161 -0.0198 0.0100 419. 15 7 8 14 8 7 10828.6902 -0.0095 0.0100 420. 17 8 10 16 9 7 12141.2879 -0.0177 0.0100 421. 18 9 10 17 10 7 10629.4764 0.0135 0.0100 422. 21 11 11 20 12 8 10567.6696 -0.0025 0.0100 423. 21 11 10 20 12 9 10568.4144 -0.0048 0.0100 424. 24 13 11 23 14 10 10529.3336 -0.0026 0.0100 425. 27 15 13 26 16 10 10505.9106 -0.0081 0.0100 426. 28 15 14 27 16 11 13349.1258 0.0010 0.0100 427. 30 17 13 29 18 12 10491.9739 0.0081 0.0100 428. 31 17 15 30 18 12 13319.2634 -0.0003 0.0100 429. 33 19 14 32 20 13 10484.3123 -0.0133 0.0100 430. 36 21 15 35 22 14 10481.2112 0.0135 0.0100 431. 39 23 16 38 24 15 10481.4798 0.0034 0.0100 432. 42 25 17 41 26 16 10484.4529 0.0007 0.0100 433. 45 27 18 44 28 17 10489.6833 0.0288 0.0100 434. 48 29 19 47 30 18 10496.7538 -0.0104 0.0100 435. 51 31 20 50 32 19 10505.5490 -0.0125 0.0100 436. 54 33 21 53 34 20 10515.9017 0.0068 0.0100 437. 57 35 22 56 36 21 10527.6666 0.0071 0.0100 438. 60 37 23 59 38 22 10540.7967 0.0115 0.0100 439. 63 39 24 62 40 23 10555.2192 -0.0071 0.0100 ! ! Q-type ! ! aQ ! 440. 9 2 7 9 2 8 11365.6843 0.0078 0.0100 441. 22 7 15 22 7 16 10156.9564 0.0201 0.0200 442. 25 8 17 25 8 18 10440.6045 0.0127 0.0100 443. 28 9 19 28 9 20 10602.2480 0.0060 0.0100 444. 31 10 21 31 10 22 10656.6026 -0.0022 0.0100 445. 34 11 23 34 11 24 10617.2275 -0.0077 0.0100 446. 65 21 44 65 21 45 11356.2665 0.0075 0.0100 447. 68 22 46 68 22 47 10795.2598 -0.0147 0.0100 448. 84 27 57 84 27 58 12204.7961 -0.0024 0.0100 449. 90 29 61 90 29 62 10793.5334 -0.0027 0.0100 450. 93 30 63 93 30 64 10115.2288 0.0108 0.0100 ! ! bQ ! 451. 6 2 5 6 1 6 11128.1150 -0.0178 0.0100 ! 452. 4 3 2 4 2 3 10002.7634 0.0023 0.0100 453. 11 3 8 11 2 9 11415.7073 0.0004 0.0100 ! 454. 7 4 3 7 3 4 12186.5507 0.0004 0.0100 455. 8 4 4 8 3 5 11321.9881 0.0216 0.0100 456. 12 4 8 12 3 9 10112.9107 0.0010 0.0100 457. 13 4 9 13 3 10 11351.5993 0.0033 0.0100 ! 458. 13 5 8 13 4 9 12264.9244 0.0007 0.0100 459. 15 5 10 15 4 11 12114.7749 0.0052 0.0100 ------------------------------------------------------------------------------------------------------ Sigma = 0.044364 443 Distinct lines in fit Sigma.w = 0.966396 432 Degrees of freedom A /MHz 3205.91119(20) LJK /mHz 0.0 B /MHz 1494.230591(77) LKKJ/mHz 0.0 C /MHz 1020.973304(69) LK /mHz 0.0 DJ /kHz 0.0381470(45) lJ /mHz 0.0 DJK /kHz 0.159481(56) lJK /mHz 0.0 DK /kHz 0.307087(85) lKJ /mHz 0.0 dJ /kHz 0.0108601(12) lK /mHz 0.0 dK /kHz 0.118392(40) PJ /microHz 0.0 HJ / Hz 0.0 PJJK /microHz 0.0 HJK / Hz -0.0000134(42) PJK /microHz 0.0 HKJ / Hz -0.0004241(77) PKJ /microHz 0.0 HK / Hz 0.000304(14) 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 0.8933 1.0000 C 0.6850 0.8141 1.0000 DJ 0.8047 0.9256 0.8604 1.0000 DJK 0.5384 0.5455 0.7069 0.6969 1.0000 DK 0.4333 0.1433 -0.2171 -0.0228 -0.3294 1.0000 dJ 0.5750 0.6527 0.3212 0.5175 0.2818 0.2452 1.0000 dK 0.0909 0.0572 -0.1017 0.1337 0.2184 0.0445 -0.2152 1.0000 HJK 0.3600 0.3682 0.5531 0.5559 0.8587 -0.3692 0.1996 -0.0659 HKJ 0.1675 0.1601 0.0491 0.1153 0.0842 0.1178 0.0144 0.6770 HK 0.3465 0.0674 -0.1584 -0.0280 -0.1932 0.8393 0.2207 -0.2322 HJK HKJ HK HJK 1.0000 HKJ -0.4106 1.0000 HK -0.0120 -0.3757 1.0000 Mean value of |C.ij|, i.ne.j = 0.3577 Mean value of C.ij, i.ne.j = 0.2583 Distribution of values of |C.ij|, i.ne.j: 10 20 30 40 50 60 ....,....|....,....|....,....|....,....|....,....|....,....|....,.. 6 <0.05 ****** 5 <0.10 ***** 5 <0.15 ***** 5 <0.20 ***** 6 <0.25 ****** 1 <0.30 * 3 <0.35 *** 4 <0.40 **** 2 <0.45 ** 0 <0.50 3 <0.55 *** 3 <0.60 *** 0 <0.65 4 <0.70 **** 1 <0.75 * 0 <0.80 3 <0.85 *** 3 <0.90 *** 1 <0.95 * 0 <1.00 _______________________________________________________________________________ There are no influential transitions with hjj > 0.500 mean of all values = 0.0243 WORST FITTING LINES (line number=(o-c)/error): 378= 3.1 337= 3.0 433= 2.9 175= -2.9 408= -2.9 390= -2.8 398= -2.8 _______________________________________________________________________________