ASFIT version 29.V.2015 _______________________________________________________________________________ Toluene ground state, combined FTMW+MMW data set _______________________________________________________________________________ Fit of Watson's Hamiltonian --> reduction-A, representation-I.r : A = 5729.4768525650852097897 +- 0.0002293398613366551 B = 2517.4783226799063413637 +- 0.0000520686725080408 C = 1748.8563753124381037196 +- 0.0000433978731635708 DJ = 0.0001254384748622971 +- 0.0000000142208842735 DJK = 0.0003791452304584363 +- 0.0000005803416330094 DK = 0.0008101908565561763 +- 0.0000027883876092379 dJ = 0.0000401403374469977 +- 0.0000000048723280642 dK = 0.0004474161985432148 +- 0.0000001745348912746 HKJ = -0.0000000170953733002 +- 0.0000000034924276932 HK = 0.0000001045095470513 +- 0.0000000077559599543 hJK = -0.0000000005164464698 +- 0.0000000000707614851 LKKJ= -0.0000000000356235929 +- 0.0000000000039293405 Deviation of fit = 0.034623 Weighted deviation of fit = 0.777068 ------------------------------------------------------------------------------------------------------ TRANSITION Observed Obs-Calc Error Note Blend components ------------------------------------------------------------------------------------------------------ ! ! Errors also specify the spectrometer: ! ! 0.002,0.004 = IFPAN FTMW ! 0.005,0.01 = KIEL waveguide FT ! 0.05 = IFPAN MMW ! !______________________________________________________________________ ! ! ! Low-J aR0,1 ! 1. 1 0 1 0 0 0 4266.3395 0.0053 0.0040 ! 2. 2 1 2 1 1 1 7764.0406 -0.0044 0.0020 3. 2 0 2 1 0 1 8410.4988 0.0001 0.0020 4. 2 1 1 1 1 0 9301.2799 -0.0028 0.0020 ! 5. 3 1 3 2 1 2 11574.9374 0.0002 0.0020 6. 3 0 3 2 0 2 12329.4745 0.0001 0.0020 7. 3 2 2 2 2 1 12798.9780 -0.0034 0.0050 8. 3 2 1 2 2 0 13268.4949 -0.0027 0.0020 9. 3 1 2 2 1 1 13868.4665 -0.0002 0.0020 ! 10. 4 1 4 3 1 3 15316.3559 0.0002 0.0020 11. 4 0 4 3 0 3 15993.2737 -0.0002 0.0020 12. 4 2 3 3 2 2 16969.6845 -0.0001 0.0020 13. 4 3 2 3 3 1 17276.9937 -0.0036 0.0050 14. 4 3 1 3 3 0 17349.6663 -0.0030 0.0050 15. 4 2 2 3 2 1 18040.6906 0.0016 0.0020 16. 4 1 3 3 1 2 18318.1440 0.0003 0.0020 ! 17. 5 1 5 4 1 4 18987.4131 0.0007 0.0050 18. 5 0 5 4 0 4 19478.9282 0.0018 0.0050 19. 5 2 4 4 2 3 21060.7211 0.0005 0.0050 20. 5 4 2 4 4 1 21602.4263 0.0013 0.0050 21. 5 4 1 4 4 0 21610.5624 0.0003 0.0050 22. 5 3 3 4 3 2 21638.4364 -0.0002 0.0050 23. 5 3 2 4 3 1 21883.4223 0.0032 0.0050 24. 5 1 4 4 1 3 22585.4151 0.0021 0.0050 25. 5 2 3 4 2 2 22905.2699 0.0019 0.0050 ! 26. 6 1 6 5 1 5 22597.9042 0.0013 0.0050 27. 6 0 6 5 0 5 22902.2770 0.0009 0.0050 28. 6 2 5 5 2 4 25057.6627 0.0011 0.0050 29. 6 3 4 5 3 3 25983.3425 0.0012 0.0050 30. 6 5 2 5 5 1 25906.4705 0.0005 0.0050 31. 6 5 1 5 5 0 25907.2399 0.0011 0.0050 32. 6 4 3 5 4 2 26002.1409 0.0004 0.0050 33. 6 4 2 5 4 1 26038.0306 0.0009 0.0050 34. 6 3 3 5 3 2 26591.3467 0.0021 0.0050 35. 6 1 5 5 1 4 26600.7842 0.0018 0.0050 ! 36. 7 1 7 6 1 6 26163.0410 -0.0004 0.0050 37. 7 0 7 6 0 6 26332.2052 0.0019 0.0050 ! ! ! aR-2,3 ! 38. 10 2 8 9 4 5 10435.1666 0.0022 0.0100 39. 11 2 9 10 4 6 13741.2385 -0.0024 0.0100 40. 12 2 10 11 4 7 15229.1031 0.0161 0.0100 41. 13 2 11 12 4 8 14806.7501 0.0059 0.0100 42. 14 2 12 13 4 9 12630.6526 -0.0035 0.0100 43. 13 3 10 12 5 7 15321.9580 0.0033 0.0100 44. 15 3 12 14 5 9 22157.7171 -0.0060 0.0100 45. 16 3 13 15 5 10 22509.0012 0.0032 0.0100 46. 17 3 14 16 5 11 20825.7789 0.0004 0.0100 47. 15 4 11 14 6 8 12999.4059 0.0050 0.0100 48. 23 4 19 22 6 16 15802.4417 -0.0125 0.0100 49. 18 5 13 17 7 10 16125.9059 -0.0123 0.0100 50. 26 8 18 25 10 15 12503.8790 -0.0225 0.0100 51. 27 8 19 26 10 16 23081.7605 -0.0051 0.0100 52. 30 8 23 29 10 20 10794.5711 0.0072 0.0100 53. 31 8 24 30 10 21 11878.4435 -0.0027 0.0100 54. 33 8 26 32 10 23 11064.2479 -0.0080 0.0100 55. 39 8 31 38 10 28 24222.9803 0.0044 0.0100 56. 29 9 20 28 11 17 13650.8851 -0.0021 0.0100 57. 30 9 21 29 11 18 24660.7507 0.0064 0.0100 58. 35 9 27 34 11 24 16924.0614 -0.0076 0.0100 59.E 38 9 30 37 11 27 12828.2663 0.0503 0.0100--excl /blended 60. 39 11 29 38 13 26 22473.1460 0.0168 0.0100 ! ! ! Q-types ! 61. 3 1 2 3 1 3 4599.3872 0.0001 0.0020 62. 3 2 2 3 0 3 14976.8857 -0.0040 0.0050 63. 4 1 3 4 1 4 7601.1758 0.0007 0.0020 64. 4 2 3 4 0 4 15953.3002 -0.0001 0.0050 65. 5 1 4 5 1 5 11199.1733 -0.0025 0.0040 66. 5 2 4 5 0 5 17535.0887 -0.0059 0.0050 67. 5 2 3 5 2 4 3507.2349 0.0003 0.0020 68.E 5 3 3 5 1 4 24630.9440 -0.0260 0.0100--excl /blended 69. 6 1 5 6 1 6 15202.0546 -0.0007 0.0050 70. 6 2 5 6 0 6 19690.4802 0.0001 0.0050 71. 6 3 4 6 1 5 24013.5201 -0.0088 0.0100 72. 7 2 5 7 2 6 9583.2480 -0.0005 0.0050 73. 7 3 5 7 1 6 23966.2875 -0.0048 0.0100 74. 8 1 7 8 1 8 23486.2807 0.0002 0.0100 75. 8 2 6 8 2 7 13626.7634 -0.0046 0.0050 76. 8 2 7 8 0 8 25272.7876 0.0005 0.0100 77. 8 3 6 8 1 7 24654.2837 0.0002 0.0100 78. 9 3 7 9 1 8 26102.5281 -0.0026 0.0100 79. 10 3 7 10 3 8 10802.2396 0.0046 0.0050 80. 10 2 8 10 2 9 22758.9216 -0.0035 0.0050 81. 12 3 9 12 3 10 20180.3234 0.0043 0.0050 82. 13 4 9 13 4 10 11441.3017 0.0012 0.0050 83. 14 4 10 14 4 11 16206.6671 -0.0011 0.0050 84. 14 3 11 13 5 8 19692.9902 0.0039 0.0050 85. 15 4 11 15 4 12 21561.6830 0.0010 0.0050 86. 16 5 11 16 5 12 11624.6829 0.0002 0.0050 87. 17 5 12 17 5 13 16625.1583 0.0008 0.0050 88. 19 6 13 19 6 14 11452.1510 -0.0025 0.0050 89. 20 6 14 20 6 15 16590.6044 0.0001 0.0050 90. 21 6 15 21 6 16 22573.4742 0.0011 0.0050 91. 22 7 15 22 7 16 11009.8539 -0.0011 0.0050 92. 23 7 16 23 7 17 16186.0231 -0.0019 0.0050 93. 25 8 17 25 8 18 10373.5939 -0.0003 0.0050 94. 26 8 18 26 8 19 15489.5858 -0.0006 0.0050 95. 28 9 19 28 9 20 9609.3591 0.0053 0.0050 96. 31 10 21 31 10 22 8772.9423 -0.0028 0.0050 97. 32 10 22 32 10 23 13510.8605 -0.0001 0.0050 98. 29 9 20 29 9 21 14575.0694 -0.0004 0.0050 99. 30 9 21 30 9 22 20800.9569 -0.0006 0.0050 100. 33 10 23 33 10 24 19615.6080 0.0011 0.0050 101. 35 11 24 35 11 25 12358.3524 -0.0028 0.0050 102. 36 11 25 36 11 26 18249.3418 0.0001 0.0050 103. 37 11 26 37 11 27 25492.7854 0.0010 0.0050 104. 38 12 26 38 12 27 11170.4191 -0.0015 0.0050 105. 39 12 27 39 12 28 16767.7625 0.0006 0.0050 106. 40 12 28 40 12 29 23840.5301 0.0011 0.0050 107. 41 13 28 41 13 29 9990.3496 0.0009 0.0050 108. 42 13 29 42 13 30 15230.6471 0.0004 0.0050 109. 43 13 30 43 13 31 22035.7108 0.0011 0.0050 110. 44 14 30 44 14 31 8851.5421 0.0051 0.0050 111. 45 14 31 45 14 32 13689.9471 0.0039 0.0050 112. 46 14 32 46 14 33 20143.3869 -0.0010 0.0050 113. 48 15 33 48 15 34 12188.3439 0.0031 0.0050 114. 49 15 34 49 15 35 18223.3434 -0.0076 0.0050 115.E 50 15 35 50 15 36 25934.7992 0.0591 0.0050--excl 116.E 51 16 35 51 16 36 10758.6627 0.0169 0.0050--excl 117.E 52 16 36 52 16 37 16329.0464 1.1881 0.0050--excl 118.E 53 16 37 53 16 38 23635.9490 -0.1329 0.0050--excl 119.E 54 17 37 54 17 38 9424.2137 0.2278 0.0050--excl 120.E 55 17 38 55 17 39 14499.8365 -0.1361 0.0050--excl 121.E 56 17 39 56 17 40 21333.4940 -0.2185 0.0050--excl 122.E 57 18 39 57 18 40 8198.6780 -0.0275 0.0050--excl 123.E 58 18 40 58 18 41 12772.4359 -0.2759 0.0050--excl 124.E 59 18 41 59 18 42 19078.1852 -2.8469 0.0050--excl 125.E 61 19 42 61 19 43 11169.2173 0.1419 0.0050--excl 126.E 62 19 43 62 19 44 16931.0426 8.8601 0.0050--excl 127.E 63 19 44 63 19 45 24552.2131 -6.8114 0.0050--excl 128.E 64 20 44 64 20 45 9690.1307 -12.7069 0.0050--excl 129.E 65 20 45 65 20 46 14882.5027 -8.5049 0.0050--excl 130.E 66 20 46 66 20 47 21941.6462 -5.0167 0.0050--excl 131.E 67 21 46 67 21 47 8370.4152 -9.4589 0.0050--excl 132.E 68 21 47 68 21 48 13003.8104 -7.1107 0.0050--excl 133.E 69 21 48 69 21 49 19443.2900 -9.0897 0.0050--excl 134.E 71 22 49 71 22 50 11282.1249 -13.4729 0.0050--excl 135.E 72 22 50 72 22 51 17095.7688 -15.5675 0.0050--excl 136.E 73 22 51 73 22 52 24909.5127 -12.8014 0.0050--excl 137.E 75 23 52 75 23 53 14939.1529 -8.6577 0.0050--excl 138.E 76 23 53 76 23 54 22078.5584 -9.9176 0.0050--excl 139.E 77 24 53 77 24 54 8357.7736 -15.6129 0.0050--excl 140.E 78 24 54 78 24 55 12958.5753 -17.2090 0.0050--excl 141.E 79 24 55 79 24 56 19412.6073 -19.4789 0.0050--excl ! ! ! aR_0,1 type-II bandheads ! 142. 47 0 47 46 0 46 166122.5690 0.0329 0.0500 143. 46 1 45 45 1 44 166124.5840 -0.0473 0.0500 144. 45 2 43 44 2 42 166131.0700 -0.0235 0.0500 145. 44 3 41 43 3 40 166147.0540 -0.0922 0.0500 146. 43 4 39 42 4 38 166181.2560 -0.0556 0.0500 147. 42 5 37 41 5 36 166247.9780 -0.0679 0.0500 148. 42 6 37 41 6 36 166247.9780 -0.0586 0.0500 149. 40 7 33 39 7 32 166613.7510 -0.0049 0.0500 150. 40 8 33 39 8 32 166604.0330 -0.0376 0.0500 151. 39 8 31 38 8 30 167165.1410 -0.0003 0.0500 152. 37 9 28 36 9 27 166259.7780 -0.0602 0.0500 153. 39 9 31 38 9 30 166989.4880 -0.0126 0.0500 154. 37 12 26 36 12 25 166158.0180 -0.0891 0.0500 155. 37 13 24 36 13 23 165920.4680 0.0268 0.0500 ! 156. 48 0 48 47 0 47 169619.0860 0.0919 0.0500 157. 47 1 46 46 1 45 169621.1350 0.1241 0.0500 158. 46 2 44 45 2 43 169627.1790 0.0206 0.0500 159. 45 3 42 44 3 41 169642.3470 0.0075 0.0500 160. 44 4 40 43 4 39 169674.4830 0.0261 0.0500 161. 43 5 38 42 5 37 169736.7660 0.0518 0.0500 162. 43 6 38 42 6 37 169736.7660 0.0561 0.0500 ! 163. 41 8 34 40 8 33 170063.8550 -0.0381 0.0500 164. 41 7 34 40 7 33 170068.9480 0.0000 0.0500 165. 40 9 32 39 9 31 170430.1300 -0.0031 0.0500 166. 40 8 32 39 8 31 170529.1440 -0.0238 0.0500 167. 39 10 30 38 10 29 170791.2620 -0.0005 0.0500 168. 38 11 28 37 11 27 169902.9770 -0.0405 0.0500 169. 38 12 27 37 12 26 170793.0880 -0.0044 0.0500 170. 38 13 26 37 13 25 170217.4240 0.0063 0.0500 171. 38 13 25 37 13 24 171172.2820 0.0007 0.0500 ! 172. 49 0 49 48 0 48 173115.4600 0.0599 0.0500 173. 48 1 47 47 1 46 173117.2720 -0.0716 0.0500 174. 47 2 45 46 2 44 173123.2130 0.0144 0.0500 175. 46 3 43 45 3 42 173137.5690 -0.0067 0.0500 176. 45 4 41 44 4 40 173167.8100 -0.0109 0.0500 177. 44 5 39 43 5 38 173226.0180 -0.0185 0.0500 178. 44 6 39 43 6 38 173226.0180 -0.0165 0.0500 179. 43 6 37 42 6 36 173333.1960 -0.0349 0.0500 180. 43 7 37 42 7 36 173333.1960 0.0514 0.0500 ! 181. 42 7 35 41 7 34 173529.8890 -0.0022 0.0500 182. 42 8 35 41 8 34 173527.2530 -0.0285 0.0500 183. 41 9 33 40 9 32 173869.1060 -0.0009 0.0500 184. 37 11 26 36 11 25 173013.6140 0.0161 0.0500 185. 39 11 29 38 11 28 173878.7310 -0.0030 0.0500 ! 186. 39 10 29 38 10 28 178439.5770 -0.0182 0.0500 ! 187. 59 0 59 58 0 58 208076.2780 -0.0754 0.0500 188. 58 1 57 57 1 56 208077.8030 0.0331 0.0500 189. 57 2 55 56 2 54 208081.5620 0.0040 0.0500 190. 56 3 53 55 3 52 208090.4450 0.0170 0.0500 191. 55 4 51 54 4 50 208108.3240 -0.0038 0.0500 192. 54 5 49 53 5 48 208141.1280 0.0163 0.0500 193. 53 6 47 52 6 46 208197.6580 -0.0252 0.0500 194. 51 8 43 50 8 42 208447.4780 -0.0754 0.0500 195. 51 9 43 50 9 42 208447.4780 0.0032 0.0500 196. 50 9 41 49 9 40 208706.4500 -0.0629 0.0500 197. 50 10 41 49 10 40 208704.3750 -0.0661 0.0500 ! 198. 59 1 58 58 1 57 211573.5030 0.0105 0.0500 199. 58 2 56 57 2 55 211577.1290 -0.0055 0.0500 200. 57 3 54 56 3 53 211585.6060 -0.0216 0.0500 201. 56 4 52 55 4 51 211602.6850 -0.0295 0.0500 202. 54 6 48 53 6 47 211687.4810 -0.0029 0.0500 203. 53 7 46 52 7 45 211776.3670 -0.0147 0.0500 204. 52 8 44 51 8 43 211921.6790 -0.0112 0.0500 205. 52 9 44 51 9 43 211921.6790 0.0278 0.0500 206. 51 9 42 50 9 41 212160.6700 -0.0229 0.0500 207. 51 10 42 50 10 41 212159.5890 -0.0283 0.0500 208. 50 10 40 49 10 39 212574.4050 0.0181 0.0500 209. 50 11 40 49 11 39 212552.4060 0.0472 0.0500 210. 49 12 38 48 12 37 213141.6730 -0.0003 0.0500 ! 211. 60 1 59 59 1 58 215069.1740 0.0222 0.0500 212. 59 2 57 58 2 56 215072.6770 0.0214 0.0500 213. 58 3 55 57 3 54 215080.7770 -0.0163 0.0500 214. 57 4 53 56 4 52 215097.0940 -0.0242 0.0500 215. 56 5 51 55 5 50 215126.8010 -0.0163 0.0500 216. 55 6 49 54 6 48 215177.6370 0.0011 0.0500 217. 54 7 47 53 7 46 215261.5150 0.0109 0.0500 218. 53 8 45 52 8 44 215397.6110 -0.0090 0.0500 ! 219.E 64 0 64 63 0 63 225554.6030 0.1121 0.0500--excl 220. 63 1 62 62 1 61 225555.7650 0.0274 0.0500 221. 62 2 60 61 2 59 225558.8880 0.0200 0.0500 222. 61 3 58 60 3 57 225566.0450 -0.0091 0.0500 223. 60 4 56 59 4 55 225580.3490 -0.0085 0.0500 224. 59 5 54 58 5 53 225606.1580 0.0037 0.0500 225. 58 6 52 57 6 51 225649.8660 0.0457 0.0500 226. 57 7 50 56 7 49 225720.8750 -0.0144 0.0500 227. 56 8 48 55 8 47 225834.1240 -0.0088 0.0500 228. 55 9 46 54 9 45 226013.5880 -0.0322 0.0500 229. 55 10 46 54 10 45 226013.5880 0.0400 0.0500 230. 54 10 44 53 10 43 226302.2440 0.0675 0.0500 231. 54 11 44 53 11 43 226300.4380 0.0651 0.0500 232. 53 11 42 52 11 41 226796.4720 -0.0074 0.0500 233. 53 12 42 52 12 41 226762.7370 0.0144 0.0500 234. 52 12 40 51 12 39 227870.6220 -0.0108 0.0500 ! 235.E 65 0 65 64 0 64 229050.0570 0.1433 0.0500--excl 236. 64 1 63 63 1 62 229051.1480 0.0165 0.0500 237. 63 2 61 62 2 60 229054.1520 0.0023 0.0500 238. 62 3 59 61 3 58 229061.0800 0.0281 0.0500 239. 61 4 57 60 4 56 229074.7780 0.0198 0.0500 240. 60 5 55 59 5 54 229099.3830 -0.0320 0.0500 241. 59 6 53 58 6 52 229140.9970 -0.0213 0.0500 242. 58 7 51 57 7 50 229208.4390 -0.0161 0.0500 243. 57 8 49 56 8 48 229315.3690 0.0270 0.0500 244. 56 9 47 55 9 46 229483.5250 -0.0100 0.0500 245. 56 10 47 55 10 46 229483.5250 0.0261 0.0500 246. 55 10 45 54 10 44 229750.8880 0.0232 0.0500 247. 55 11 45 54 11 44 229749.9910 0.0685 0.0500 248. 54 11 43 53 11 42 230196.2510 -0.0119 0.0500 249. 54 12 43 53 12 42 230177.6450 0.0018 0.0500 250. 53 12 41 52 12 40 231087.4510 0.0129 0.0500 ! 251. 71 2 69 70 2 68 257013.9980 0.0191 0.0500 252. 70 3 67 69 3 66 257019.0690 0.0067 0.0500 253. 69 4 65 68 4 64 257029.0000 -0.0079 0.0500 254. 68 5 63 67 5 62 257046.6080 -0.0173 0.0500 255. 67 6 61 66 6 60 257075.7300 -0.0483 0.0500 256. 66 7 59 65 7 58 257121.8540 -0.0148 0.0500 257.E 65 8 57 64 8 56 257193.5990 0.9871 0.0500--excl ! 258. 80 1 79 79 1 78 284967.2200 -0.0018 0.0500 259. 79 2 77 78 2 76 284968.9710 -0.0257 0.0500 260.E 78 3 75 77 3 74 284972.9500 0.1326 0.0500--excl 261.E 77 4 73 76 4 72 284980.3900 0.1666 0.0500--excl 262. 76 5 71 75 5 70 284993.2350 -0.0002 0.0500 263.E 75 6 69 74 6 68 285014.3600 -0.1690 0.0500--excl 264.E 74 7 67 73 7 66 285046.4440 -1.2463 0.0500--excl 265.E 73 8 65 72 8 64 285097.7130 0.1188 0.0500--excl /+ neares 266.E 72 9 63 71 9 62 285170.4840 -0.5102 0.0500--excl /- neares 267.E 71 10 61 70 10 60 285277.0330 -0.4352 0.0500--excl 268.E 70 11 59 69 11 58 285431.2000 0.1795 0.0500--excl ! 269.E 84 2 82 83 2 81 302438.0660 -0.0823 0.0500--excl 270.E 83 3 80 82 3 79 302441.4880 0.1259 0.0500--excl 271.E 82 4 78 81 4 77 302447.5140 -0.0546 0.0500--excl 272.E 81 5 76 80 5 75 302458.2250 -0.2264 0.0500--excl 273.E 80 6 74 79 6 73 302476.0390 -0.1584 0.0500--excl 274.E 79 7 72 78 7 71 302503.5090 -0.1662 0.0500--excl 275.E 78 8 70 77 8 69 302544.4330 -0.2597 0.0500--excl 276.E 77 9 68 76 9 67 302601.8700 -2.5105 0.0500--excl 277.E 76 10 66 75 10 65 302688.7140 -1.0681 0.0500--excl ! 278.E 85 2 83 84 2 82 305931.6510 -0.0583 0.0500--excl 279.E 84 3 81 83 3 80 305934.9490 0.1346 0.0500--excl 280.E 83 4 79 82 4 78 305940.7570 -0.0509 0.0500--excl 281.E 82 5 77 81 5 76 305950.4160 -0.8996 0.0500--excl 282.E 81 6 75 80 6 74 305968.5090 0.0663 0.0500--excl 283.E 80 7 73 79 7 72 305994.7460 -0.1936 0.0500--excl 284.E 79 8 71 78 8 70 306034.1380 -0.3035 0.0500--excl 285.E 78 9 69 77 9 68 306090.7570 -1.0653 0.0500--excl 286.E 77 10 67 76 10 66 306173.4980 -0.2363 0.0500--excl 287.E 76 11 65 75 11 64 306289.8310 0.3688 0.0500--excl ! 288.E 86 2 84 85 2 83 309425.1490 -0.0287 0.0500--excl 289.E 85 3 82 84 3 81 309428.2690 0.0910 0.0500--excl 290.E 84 4 80 83 4 79 309433.8460 -0.1201 0.0500--excl 291.E 83 5 78 82 5 77 309445.6270 1.5135 0.0500--excl 292.E 82 6 76 81 6 75 309460.2950 -0.3527 0.0500--excl 293.E 81 7 74 80 7 73 309485.9980 -0.2099 0.0500--excl 294.E 80 8 72 79 8 71 309523.9660 -0.3016 0.0500--excl ! 295.E 87 2 85 86 2 84 312918.5060 -0.0464 0.0500--excl 296.E 86 3 83 85 3 82 312921.6174 0.1659 0.0500--excl 297.E 85 4 81 84 4 80 312926.9400 -0.1016 0.0500--excl 298.E 84 5 79 83 5 78 312936.0330 -0.8095 0.0500--excl 299.E 83 6 77 82 6 76 312952.2150 -0.5932 0.0500--excl 300.E 82 7 75 81 7 74 312977.0600 -0.4132 0.0500--excl 301.E 81 8 73 80 8 72 313013.7650 -0.3943 0.0500--excl 302.E 80 9 71 79 9 70 313067.6450 0.3658 0.0500--excl ! 303.E 93 1 92 92 1 91 330382.8720 0.1031 0.0500--excl /blended 304.E 92 2 90 91 2 89 330383.8940 -0.0857 0.0500--excl 305.E 91 3 88 90 3 87 330386.3840 -0.0364 0.0500--excl 306.E 90 4 86 89 4 85 330391.8120 0.6933 0.0500--excl 307.E 89 5 84 88 5 83 330400.4610 1.0917 0.0500--excl 308.E 88 6 82 87 6 81 330411.8760 -0.9360 0.0500--excl 309.E 87 7 80 86 7 79 330433.6820 0.1438 0.0500--excl ! ! ! High K-1 interband lines or lines measured without the bandhead ! 310. 51 6 45 50 6 44 201219.3000 -0.0239 0.0500 ! 311. 47 8 39 46 8 38 194575.1310 -0.0075 0.0500 312. 48 8 40 47 8 39 198038.8320 0.0133 0.0500 ! 313. 46 9 37 45 9 36 194955.2820 0.0224 0.0500 314. 47 9 39 46 9 38 194573.9370 0.0078 0.0500 315. 48 9 40 47 9 39 198038.1320 -0.0688 0.0500 ! 316. 45 10 35 44 10 34 195833.8270 -0.0111 0.0500 317. 46 10 37 45 10 36 194929.4250 -0.0067 0.0500 ! 318. 43 11 32 42 11 31 196079.5220 0.0079 0.0500 319. 45 11 35 44 11 34 195456.8260 0.0816 0.0500 ! 320. 44 12 33 43 12 32 195603.5350 -0.0263 0.0500 321. 45 12 33 44 12 32 208348.5280 -0.0354 0.0500 ! 322. 44 13 32 43 13 31 197868.9850 -0.0087 0.0500 323. 45 13 33 44 13 32 202001.7560 0.0068 0.0500 324. 47 13 34 46 13 33 219940.7350 -0.0254 0.0500 325. 48 13 35 47 13 34 223279.4450 0.0203 0.0500 326. 49 13 37 48 13 36 217056.4990 -0.0662 0.0500 327. 50 13 38 49 13 37 220559.8730 -0.0063 0.0500 328. 50 13 37 49 13 36 228658.0360 0.0243 0.0500 329. 51 13 39 50 13 38 224009.2180 0.0814 0.0500 330. 51 13 38 50 13 37 231126.2730 -0.0067 0.0500 331. 52 13 39 51 13 38 233684.8390 -0.0130 0.0500 332. 52 13 40 51 13 39 227424.6130 -0.0927 0.0500 333. 53 13 41 52 13 40 230822.2310 0.0974 0.0500 334. 54 13 42 53 13 41 234212.3550 0.0011 0.0500 ! 335. 43 14 29 42 14 28 195698.2460 0.0038 0.0500 336. 43 14 30 42 14 29 193468.9120 -0.0129 0.0500 337. 44 14 31 43 14 30 198231.4210 -0.0066 0.0500 338. 45 14 32 44 14 31 202895.2360 -0.0013 0.0500 339. 47 14 34 46 14 33 211813.4700 0.0411 0.0500 340. 48 14 35 47 14 34 216029.6300 0.0001 0.0500 341. 48 14 34 47 14 33 225368.4710 -0.0037 0.0500 342.E 49 14 36 48 14 35 220075.6230 -0.3190 0.0500--excl 343. 49 14 35 48 14 34 230306.6610 -0.0104 0.0500 344.E 50 14 37 49 14 36 223960.8900 0.3933 0.0500--excl 345. 50 14 36 49 14 35 234569.7510 -0.0144 0.0500 346. 51 14 38 50 14 37 227700.9780 -0.0080 0.0500 347. 52 14 39 51 14 38 231321.5570 -0.0164 0.0500 348.E 53 14 40 52 14 39 234849.3570 0.1741 0.0500--excl ! 349. 38 15 23 37 15 22 168260.0730 -0.0449 0.0500 350. 38 15 24 37 15 23 168244.7810 0.0194 0.0500 351. 39 15 24 38 15 23 173046.3260 -0.0388 0.0500 352. 39 15 25 38 15 24 173014.8670 -0.0449 0.0500 353. 40 15 26 39 15 25 177818.8960 0.0183 0.0500 354. 43 15 28 42 15 27 192824.5750 0.0146 0.0500 355. 43 15 29 42 15 28 192416.5750 0.0286 0.0500 356. 44 15 29 43 15 28 198036.9960 0.0261 0.0500 357. 44 15 30 43 15 29 197322.1330 0.0092 0.0500 358. 45 15 30 44 15 29 203431.4570 -0.0039 0.0500 359. 45 15 31 44 15 30 202223.9470 0.0077 0.0500 360. 47 15 32 46 15 31 214940.1800 -0.0101 0.0500 361. 47 15 33 46 15 32 211917.9130 0.0331 0.0500 362. 48 15 33 47 15 32 221059.9550 -0.0112 0.0500 363. 48 15 34 47 15 33 216649.5310 -0.0062 0.0500 364. 49 15 34 48 15 33 227297.2250 -0.0186 0.0500 365. 49 15 35 48 15 34 221262.2040 -0.0293 0.0500 366. 50 15 35 49 15 34 233440.3390 0.0910 0.0500 367. 50 15 36 49 15 35 225728.7370 -0.1219 0.0500 368.E 51 15 37 50 15 36 230030.5460 0.1455 0.0500--excl 369.E 52 15 38 51 15 37 234158.4640 -0.0517 0.0500--excl ! 370. 38 16 22 37 16 21 167507.6780 0.0059 0.0500 371. 38 16 23 37 16 22 167506.3270 0.0064 0.0500 372. 39 16 23 38 16 22 172202.9070 0.0245 0.0500 373. 39 16 24 38 16 23 172199.9080 0.0201 0.0500 374. 40 16 24 39 16 23 176928.8040 0.0056 0.0500 375. 40 16 25 39 16 24 176922.3590 0.0008 0.0500 376. 41 16 25 40 16 24 181689.1200 0.0075 0.0500 377. 41 16 26 40 16 25 181675.6760 0.0165 0.0500 378. 42 16 26 41 16 25 186488.8650 0.0202 0.0500 379. 42 16 27 41 16 26 186461.6350 0.1018 0.0500 380. 44 16 28 43 16 27 196238.1610 0.0307 0.0500 381. 44 16 29 43 16 28 196134.6880 0.0018 0.0500 382. 45 16 29 44 16 28 201213.1450 0.0188 0.0500 383. 45 16 30 44 16 29 201020.2170 0.0256 0.0500 384. 47 16 31 46 16 30 211476.9320 -0.0043 0.0500 385. 47 16 32 46 16 31 210863.2150 0.0259 0.0500 386. 48 16 33 47 16 32 215796.7470 0.0796 0.0500 387. 49 16 34 48 16 33 220712.1510 -0.0973 0.0500 388. 50 16 34 49 16 33 228254.0730 -0.0067 0.0500 389. 50 16 35 49 16 34 225583.0780 0.0018 0.0500 390. 51 16 35 50 16 34 234351.7010 -0.0468 0.0500 391. 51 16 36 50 16 35 230378.0340 -0.0140 0.0500 392.E 52 16 37 51 16 36 235063.8920 -0.9107 0.0500--excl ! 393.B 38 17 21 37 17 20 166922.4020 B -0.0028 0.0500 1.0E+00 166922.4538 394.B 38 17 22 37 17 21 166922.4020 B -0.0028 0.0500 1.0E+00 166922.3558 395.B 39 17 22 38 17 21 171556.9060 B -0.0069 0.0500 1.0E+00 171557.0299 396.B 39 17 23 38 17 22 171556.9060 B -0.0069 0.0500 1.0E+00 171556.7959 397. 40 17 23 39 17 22 176215.0350 0.0341 0.0500 398. 40 17 24 39 17 23 176214.4600 0.0009 0.0500 399. 42 17 25 41 17 24 185608.7050 0.0114 0.0500 400. 42 17 26 41 17 25 185606.0530 0.0210 0.0500 401. 44 17 27 43 17 26 195123.2750 0.0265 0.0500 402. 44 17 28 43 17 27 195111.5670 0.0221 0.0500 403.E 45 17 28 44 17 27 199935.4000 0.0918 0.0500--excl 404.E 45 17 29 44 17 28 199911.8910 0.1612 0.0500--excl 405. 47 17 30 46 17 29 209701.9870 0.0128 0.0500 406. 47 17 31 46 17 30 209613.5540 0.0189 0.0500 407. 48 17 31 47 17 30 214679.2290 0.0471 0.0500 408. 48 17 32 47 17 31 214514.5920 0.0163 0.0500 409.E 49 17 32 48 17 31 219742.8910 -0.1769 0.0500--excl 410.E 49 17 33 48 17 32 219444.8720 -0.0808 0.0500--excl 411.E 50 17 33 49 17 32 224922.1340 0.3474 0.0500--excl 412.E 50 17 34 49 17 33 224397.2730 0.1627 0.0500--excl 413.E 51 17 34 50 17 33 230253.8070 -0.0233 0.0500--excl 414.E 51 17 35 50 17 34 229359.0150 0.5982 0.0500--excl 415.E 52 17 36 51 17 35 234310.1200 -0.1222 0.0500--excl ! 416.B 38 18 20 37 18 19 166450.1510 B 0.0287 0.0500 1.0E+00 166450.1253 417.B 38 18 21 37 18 20 166450.1510 B 0.0287 0.0500 1.0E+00 166450.1193 418.B 39 18 22 38 18 21 171039.1200 B 0.0218 0.0500 1.0E+00 171039.0905 419.B 39 18 21 38 18 20 171039.1200 B 0.0218 0.0500 1.0E+00 171039.1058 420.B 40 18 23 39 18 22 175647.2010 B 0.0244 0.0500 1.0E+00 175647.1575 421.B 40 18 22 39 18 21 175647.2010 B 0.0244 0.0500 1.0E+00 175647.1956 422. 43 18 25 42 18 24 189598.5440 0.0477 0.0500 423. 43 18 26 42 18 25 189598.0180 0.0119 0.0500 424. 44 18 26 43 18 25 194296.3280 0.0321 0.0500 425. 44 18 27 43 18 26 194295.2340 0.0245 0.0500 426. 45 18 27 44 18 26 199020.9520 0.0042 0.0500 427. 45 18 28 44 18 27 199018.5580 -0.0447 0.0500 428.E 46 18 28 45 18 27 203775.2120 0.2418 0.0500--excl 429.E 46 18 29 45 18 28 203770.1980 0.1614 0.0500--excl 430.E 47 18 29 46 18 28 208561.3850 -0.1750 0.0500--excl 431.E 47 18 30 46 18 29 208551.4460 0.0070 0.0500--excl 432.E 48 18 31 47 18 30 213364.6720 -0.0129 0.0500--excl 433.E 48 18 30 47 18 29 213384.8940 -0.0445 0.0500--excl 434.E 49 18 32 48 18 31 218211.3630 0.0081 0.0500--excl 435.E 49 18 31 48 18 30 218250.8150 -0.0832 0.0500--excl 436.E 50 18 33 49 18 32 223092.3750 0.0481 0.0500--excl 437.E 50 18 32 49 18 31 223167.3750 -0.2743 0.0500--excl 438.E 51 18 34 50 18 33 228002.9440 -4.2012 0.0500--excl /down 439.E 51 18 34 50 18 33 228010.6530 3.5078 0.0500--excl /up 440.E 51 18 33 50 18 32 228147.9270 0.8440 0.0500--excl 441.E 52 18 35 51 18 34 232952.5250 -0.6052 0.0500--excl 442.E 52 18 34 51 18 33 233206.3890 -0.1564 0.0500--excl ! 443. 38 19 19 37 19 18 166060.3490 -0.0461 0.0500 444. 39 19 20 38 19 19 170613.3620 0.0160 0.0500 445.B 42 19 23 41 19 22 184372.4940 B 0.0156 0.0500 1.0E+00 184372.4858 446.B 42 19 24 41 19 23 184372.4940 B 0.0156 0.0500 1.0E+00 184372.4711 447.B 43 19 24 42 19 23 188995.3850 B 0.0333 0.0500 1.0E+00 188995.3696 448.B 43 19 25 42 19 24 188995.3850 B 0.0333 0.0500 1.0E+00 188995.3338 449.B 44 19 25 43 19 24 193638.2890 B 0.0407 0.0500 1.0E+00 193638.2907 450.B 44 19 26 43 19 25 193638.2890 B 0.0407 0.0500 1.0E+00 193638.2059 451.E 46 19 27 45 19 26 202989.3990 -0.0760 0.0500--excl 452.E 46 19 28 45 19 27 202989.3990 0.3627 0.0500--excl 453.E 47 19 29 46 19 28 207699.7660 -0.1111 0.0500--excl 454.E 47 19 28 46 19 27 207700.5050 -0.3324 0.0500--excl 455.E 48 19 30 47 19 29 212436.2440 -0.2670 0.0500--excl 456.E 48 19 29 47 19 28 212438.4400 -0.1219 0.0500--excl 457.E 49 19 31 48 19 30 217200.7610 0.0085 0.0500--excl 458.E 49 19 30 48 19 29 217205.0220 -0.0066 0.0500--excl 459.E 50 19 32 49 19 31 221994.4520 -0.0636 0.0500--excl 460.E 50 19 31 49 19 30 222003.1210 -0.1018 0.0500--excl 461.E 51 19 33 50 19 32 226819.4960 -0.2147 0.0500--excl 462.E 51 19 32 50 19 31 226835.8870 -1.1450 0.0500--excl 463.E 52 19 33 51 19 32 231713.8020 2.0873 0.0500--excl /nearest ! 57 19 38 56 19 37 257105.685000 0.050000 0 ! 464. 38 20 18 37 20 17 165733.5320 0.0004 0.0500 465. 39 20 19 38 20 18 170257.2190 0.0441 0.0500 466. 40 20 20 39 20 19 174794.8160 0.0605 0.0500 467.B 42 20 22 41 20 21 183914.3700 B 0.0280 0.0500 1.0E+00 183914.3425 468.B 42 20 23 41 20 22 183914.3700 B 0.0280 0.0500 1.0E+00 183914.3416 469.B 43 20 23 42 20 22 188497.8170 B 0.0301 0.0500 1.0E+00 188497.7881 470.B 43 20 24 42 20 23 188497.8170 B 0.0301 0.0500 1.0E+00 188497.7858 471.B 44 20 24 43 20 23 193098.0990 B 0.0357 0.0500 1.0E+00 193098.0661 472.B 44 20 25 43 20 24 193098.0990 B 0.0357 0.0500 1.0E+00 193098.0604 473.B 45 20 25 44 20 24 197716.0400 B -0.0222 0.0500 1.0E+00 197716.0691 474.B 45 20 26 44 20 25 197716.0400 B -0.0222 0.0500 1.0E+00 197716.0552 475.E 46 20 27 45 20 26 202352.5330 -0.2148 0.0500--excl 476.E 46 20 26 45 20 25 202352.5330 -0.2480 0.0500--excl 477.E 47 20 28 46 20 27 207009.0710 -0.1462 0.0500--excl 478.E 47 20 27 46 20 26 207009.0710 -0.2235 0.0500--excl 479.E 48 20 29 47 20 28 211686.6230 -0.0357 0.0500--excl 480.E 48 20 28 47 20 27 211686.6230 -0.2113 0.0500--excl 481.E 49 20 30 48 20 29 216386.3610 -0.0385 0.0500--excl 482.E 49 20 29 48 20 28 216386.7420 -0.0466 0.0500--excl 483.E 50 20 31 49 20 30 221109.8340 -0.0785 0.0500--excl 484.E 50 20 30 49 20 29 221110.6850 -0.0699 0.0500--excl 485.E 51 20 32 50 20 31 225858.6250 -0.1997 0.0500--excl 486.E 51 20 31 50 20 30 225860.2670 -0.3399 0.0500--excl 487.E 52 20 33 51 20 32 230634.0870 -0.8248 0.0500--excl 488.E 52 20 32 51 20 31 230638.9220 0.3239 0.0500--excl 489. 38 21 17 37 21 16 165455.8190 0.0187 0.0500 490. 39 21 18 38 21 17 169955.0850 -0.0183 0.0500 491. 40 21 19 39 21 18 174466.6780 0.0447 0.0500 492.B 42 21 21 41 21 20 183528.4240 B -0.0231 0.0500 1.0E+00 183528.4471 493.B 42 21 22 41 21 21 183528.4240 B -0.0231 0.0500 1.0E+00 183528.4471 494.B 43 21 22 42 21 21 188079.8550 B 0.0004 0.0500 1.0E+00 188079.8547 495.B 43 21 23 42 21 22 188079.8550 B 0.0004 0.0500 1.0E+00 188079.8546 496.B 44 21 23 43 21 22 192645.6370 B -0.1092 0.0500 1.0E+00 192645.7464 497.B 44 21 24 43 21 23 192645.6370 B -0.1092 0.0500 1.0E+00 192645.7461 498.E 45 21 24 44 21 23 197226.3600 -0.4346 0.0500--excl 499.E 45 21 25 44 21 24 197226.3600 -0.4338 0.0500--excl 500.E 46 21 25 45 21 24 201823.8600 0.1321 0.0500--excl 501.E 46 21 26 45 21 25 201823.8600 0.1342 0.0500--excl 502.E 47 21 26 46 21 25 206437.2120 -0.1278 0.0500--excl 503.E 47 21 27 46 21 26 206437.2120 -0.1224 0.0500--excl 504.E 48 21 27 47 21 26 211068.4230 -0.0757 0.0500--excl 505.E 48 21 28 47 21 27 211068.4230 -0.0628 0.0500--excl 506.E 49 21 28 48 21 27 215718.0890 -0.0725 0.0500--excl 507.E 49 21 29 48 21 28 215718.0890 -0.0422 0.0500--excl 508.E 51 21 30 50 21 29 225076.9250 -0.4445 0.0500--excl 509.E 51 21 31 50 21 30 225076.9250 -0.2883 0.0500--excl ! 510. 38 22 16 37 22 15 165217.2740 0.0225 0.0500 511. 39 22 17 38 22 16 169696.0400 0.0278 0.0500 512. 40 22 18 39 22 17 174185.6290 -0.0026 0.0500 513. 41 22 19 40 22 18 178686.5950 0.0671 0.0500 514.B 42 22 20 41 22 19 183199.2100 B 0.0679 0.0500 1.0E+00 183199.1421 515.B 42 22 21 41 22 20 183199.2100 B 0.0679 0.0500 1.0E+00 183199.1421 516.B 43 22 21 42 22 20 187723.9000 B -0.0410 0.1500 1.0E+00 187723.9410 517.B 43 22 22 42 22 21 187723.9000 B -0.0410 0.0500 1.0E+00 187723.9410 518.B 44 22 22 43 22 21 192261.4210 B 0.0007 0.0500 1.0E+00 192261.4203 519.B 44 22 23 43 22 22 192261.4210 B 0.0007 0.0500 1.0E+00 192261.4203 520.B 45 22 23 44 22 22 196812.1170 B 0.0085 0.0500 1.0E+00 196812.1085 521.B 45 22 24 44 22 23 196812.1170 B 0.0085 0.0500 1.0E+00 196812.1085 522.B 46 22 24 45 22 23 201376.5760 B 0.0050 0.0500 1.0E+00 201376.5710 523.B 46 22 25 45 22 24 201376.5760 B 0.0050 0.0500 1.0E+00 201376.5709 524.B 47 22 25 46 22 24 205955.4000 B -0.0151 0.0500 1.0E+00 205955.4153 525.B 47 22 26 46 22 25 205955.4000 B -0.0151 0.0500 1.0E+00 205955.4150 526.B 48 22 26 47 22 25 210549.2250 B -0.0714 0.0500 1.0E+00 210549.2968 527.B 48 22 27 47 22 26 210549.2250 B -0.0714 0.0500 1.0E+00 210549.2960 528.E 49 22 27 48 22 26 215158.7250 -0.2007 0.0500--excl 529.E 49 22 28 48 22 27 215158.7250 -0.1986 0.0500--excl 530.E 51 22 29 50 22 28 224427.8370 -0.7543 0.0500--excl 531.E 51 22 30 50 22 29 224427.8370 -0.7424 0.0500--excl ! 532. 38 23 15 37 23 14 165010.5140 0.0535 0.0500 533. 40 23 17 39 23 16 173942.6140 0.0185 0.0500 534. 41 23 18 40 23 17 178423.6950 0.0745 0.0500 535.B 43 23 20 42 23 19 187417.3100 B -0.1154 0.0500 1.0E+00 187417.4254 536.B 43 23 21 42 23 20 187417.3100 B -0.1154 0.0500 1.0E+00 187417.4254 537.B 44 23 21 43 23 20 191930.8580 B -0.1391 0.0500 1.0E+00 191930.9971 538.B 44 23 22 43 23 21 191930.8580 B -0.1391 0.0500 1.0E+00 191930.9971 539.B 45 23 22 44 23 21 196456.1620 B -0.0836 0.0500 1.0E+00 196456.2456 540.B 45 23 23 44 23 22 196456.1620 B -0.0836 0.0500 1.0E+00 196456.2456 541.E 47 23 24 46 23 23 205543.2990 -0.3199 0.0500--excl 542.E 47 23 25 46 23 24 205543.2990 -0.3199 0.0500--excl 543.E 48 23 25 47 23 24 210106.0790 -0.6628 0.0500--excl 544.E 48 23 26 47 23 25 210106.0790 -0.6627 0.0500--excl 545.E 49 23 26 48 23 25 214681.9140 -1.6313 0.0500--excl 546.E 49 23 27 48 23 26 214681.9140 -1.6312 0.0500--excl 547.E 52 23 30 51 23 29 228501.9700 -0.2367 0.0500--excl ! 548.B 38 24 14 37 24 13 164829.7730 B 0.0170 0.0500 1.0E+00 164829.7560 549.B 38 24 15 37 24 14 164829.7730 B 0.0170 0.0500 1.0E+00 164829.7560 550.B 40 24 16 39 24 15 173730.6600 B 0.0550 0.0500 1.0E+00 173730.6050 551.B 40 24 17 39 24 16 173730.6600 B 0.0550 0.0500 1.0E+00 173730.6050 552.B 41 24 17 40 24 16 178194.5940 B 0.0618 0.0500 1.0E+00 178194.5322 553.B 41 24 18 40 24 17 178194.5940 B 0.0618 0.0500 1.0E+00 178194.5322 554.E 42 24 18 41 24 17 182668.1140 0.2398 0.0500--excl 555.E 42 24 19 41 24 18 182668.1140 0.2398 0.0500--excl 556.E 43 24 19 42 24 18 187151.3640 0.4069 0.0500--excl 557.E 44 24 20 43 24 19 191645.7380 1.6169 0.0500--excl 558.E 47 24 23 46 24 22 205188.0660 0.3041 0.0500--excl 559.E 48 24 24 47 24 23 209725.1900 0.1788 0.0500--excl 560.E 49 24 25 48 24 24 214274.4190 0.0897 0.0500--excl 561.E 52 24 28 51 24 27 227999.3840 -0.1881 0.0500--excl ! 562.B 38 25 13 37 25 12 164670.6180 B -0.1040 0.0500 1.0E+00 164670.7220 563.B 38 25 14 37 25 13 164670.6180 B -0.1040 0.0500 1.0E+00 164670.7220 564.B 40 25 15 39 25 14 173544.2300 B -0.0858 0.0500 1.0E+00 173544.3158 565.B 40 25 16 39 25 15 173544.2300 B -0.0858 0.0500 1.0E+00 173544.3158 566.B 41 25 16 40 25 15 177993.3210 B -0.0644 0.0500 1.0E+00 177993.3854 567.B 41 25 17 40 25 16 177993.3210 B -0.0644 0.0500 1.0E+00 177993.3854 568.B 42 25 17 41 25 16 182450.9340 B -0.0607 0.0500 1.0E+00 182450.9947 569.B 42 25 18 41 25 17 182450.9340 B -0.0607 0.0500 1.0E+00 182450.9947 570.B 43 25 18 42 25 17 186917.3560 B -0.0680 0.0500 1.0E+00 186917.4240 571.B 43 25 19 42 25 18 186917.3560 B -0.0680 0.0500 1.0E+00 186917.4240 572.E 47 25 22 46 25 21 204877.6220 0.2707 0.0500--excl 573.E 48 25 23 47 25 22 209392.8820 0.3750 0.0500--excl 574.E 49 25 24 48 25 23 213919.0010 0.5641 0.0500--excl 575.E 51 25 26 50 25 25 223005.6710 1.4880 0.0500--excl ! 576.B 38 26 12 37 26 11 164529.8610 B -0.0031 0.0500 1.0E+00 164529.8641 577.B 38 26 13 37 26 12 164529.8610 B -0.0031 0.0500 1.0E+00 164529.8641 578.B 40 26 14 39 26 13 173379.6040 B 0.0778 0.0500 1.0E+00 173379.5262 579.B 40 26 15 39 26 14 173379.6040 B 0.0778 0.0500 1.0E+00 173379.5262 580.B 41 26 15 40 26 14 177815.6900 B 0.1138 0.0500 1.0E+00 177815.5762 581.B 41 26 16 40 26 15 177815.6900 B 0.1138 0.0500 1.0E+00 177815.5762 582.E 42 26 16 41 26 15 182259.6810 0.2613 0.0500--excl 583.E 42 26 17 41 26 16 182259.6810 0.2613 0.0500--excl 584.E 43 26 17 42 26 16 186711.7380 0.4365 0.0500--excl 585.E 43 26 18 42 26 17 186711.7380 0.4365 0.0500--excl 586.E 47 26 21 46 26 20 204603.2500 -1.1601 0.0500--excl ! 587.E 40 27 13 39 27 12 173232.7460 -0.1372 0.0500--excl 588.E 41 27 14 40 27 13 177657.3010 -0.1400 0.0500--excl 589.E 42 27 15 41 27 14 182089.0470 -0.1016 0.0500--excl 590.E 43 27 16 42 27 15 186528.1620 -0.0606 0.0500--excl 591.E 47 27 20 46 27 19 204363.0200 0.2815 0.0500--excl 592.E 48 27 21 47 27 20 208842.5790 0.4501 0.0500--excl 593.E 49 27 22 48 27 21 213330.9710 0.6334 0.0500--excl 594.E 40 28 12 39 28 11 173101.0610 -0.6148 0.0500--excl 595.E 41 28 13 40 28 12 177515.3790 -0.6461 0.0500--excl 596.E 42 28 14 41 28 13 181936.2900 -0.6734 0.0500--excl 597.E 48 28 20 47 28 19 208613.0180 0.8730 0.0500--excl 598.E 49 28 21 48 28 20 213084.6190 -0.3010 0.0500--excl ------------------------------------------------------------------------------------------------------ Sigma = 0.034623 372 Distinct lines in fit Sigma.w = 0.777068 360 Degrees of freedom A /MHz 5729.47685(22) LJK /mHz 0.0 B /MHz 2517.478322(52) LKKJ/mHz -0.0356(39) C /MHz 1748.856375(43) LK /mHz 0.0 DJ /kHz 0.125438(14) lJ /mHz 0.0 DJK /kHz 0.37914(58) lJK /mHz 0.0 DK /kHz 0.8101(27) lKJ /mHz 0.0 dJ /kHz 0.0401403(48) lK /mHz 0.0 dK /kHz 0.44741(17) PJ /microHz 0.0 HJ / Hz 0.0 PJJK /microHz 0.0 HJK / Hz 0.0 PJK /microHz 0.0 HKJ / Hz -0.0170(34) PKJ /microHz 0.0 HK / Hz 0.1045(77) PKKJ /microHz 0.0 hJ / Hz 0.0 PK /microHz 0.0 hJK / Hz -0.000516(70) 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 0.5785 1.0000 C 0.3254 0.8015 1.0000 DJ 0.2667 0.6442 0.5835 1.0000 DJK 0.2843 -0.0173 0.1247 -0.3688 1.0000 DK 0.3738 0.0373 -0.0846 0.2613 -0.5815 1.0000 dJ 0.4038 0.3975 0.1639 0.0625 0.1803 0.0461 1.0000 dK 0.1162 -0.0672 -0.4262 -0.3710 0.2354 -0.3064 -0.0280 1.0000 HKJ 0.3233 -0.1056 0.0718 -0.3200 0.8527 -0.2306 0.0545 -0.0075 HK 0.0346 0.0481 -0.0909 0.1853 -0.7853 0.7044 -0.0229 -0.0931 hJK 0.1320 -0.1814 -0.3049 -0.7533 0.5009 -0.2183 0.3065 0.5783 LKKJ -0.3473 0.1192 -0.0541 0.3030 -0.7170 0.0266 0.0008 0.0877 HKJ HK hJK LKKJ HKJ 1.0000 HK -0.7523 1.0000 hJK 0.4221 -0.2451 1.0000 LKKJ -0.9666 0.6011 -0.3836 1.0000 Mean value of |C.ij|, i.ne.j = 0.3041 Mean value of C.ij, i.ne.j = 0.0365 Distribution of values of |C.ij|, i.ne.j: 10 20 30 40 50 60 ....,....|....,....|....,....|....,....|....,....|....,....|....,.. 10 <0.05 ********** 9 <0.10 ********* 5 <0.15 ***** 4 <0.20 **** 4 <0.25 **** 3 <0.30 *** 8 <0.35 ******** 5 <0.40 ***** 3 <0.45 *** 0 <0.50 1 <0.55 * 4 <0.60 **** 2 <0.65 ** 0 <0.70 2 <0.75 ** 3 <0.80 *** 1 <0.85 * 1 <0.90 * 0 <0.95 1 <1.00 * _______________________________________________________________________________ MOST INFLUENTIAL TRANSITIONS: Observed Obs-Calc hjj > 0.500 114. 49 15 34 49 15 35 18223.3434 -0.0076 0.5379 mean of all values = 0.0325 WORST FITTING LINES (line number=(o-c)/error): 537= -2.8 157= 2.5 367= -2.4 535= -2.3 580= 2.3 50= -2.3 2= -2.2 _______________________________________________________________________________