ASFIT version 29.V.2015 _______________________________________________________________________________ Fluorobenzene, v_11=1 _______________________________________________________________________________ Fit of Watson's Hamiltonian --> reduction-A, representation-I.r : A = 5641.4480129999510609196 +- 0.0007063013779922830 B = 2571.8049254857887717662 +- 0.0000802863693990992 C = 1769.6934519299913972645 +- 0.0000574957315614179 DJ = 0.0001339912273687405 +- 0.0000000117349526933 DJK = 0.0002177206953063687 +- 0.0000000482843293026 DK = 0.0007306973583354968 +- 0.0000010211454159639 dJ = 0.0000437479055223641 +- 0.0000000066647395241 dK = 0.0003613262225000227 +- 0.0000000795821857452 Deviation of fit = 0.032664 Weighted deviation of fit = 0.662417 ------------------------------------------------------------------------------------------------------ TRANSITION Observed Obs-Calc Error Note Blend components ------------------------------------------------------------------------------------------------------ ! ! M.Schafer, A.Bauder, Chem.Phys.Lett. 308(1999)355-362. ! 1. 2 1 2 1 1 1 7880.8840 0.0010 0.0020 2. 2 0 2 1 0 1 8545.3277 0.0006 0.0020 3. 2 1 1 1 1 0 9485.1027 0.0025 0.0020 ! 4. 3 1 3 2 1 2 11741.5680 0.0011 0.0020 5. 3 0 3 2 0 2 12498.7017 0.0011 0.0020 6. 3 2 2 2 2 1 13024.4771 0.0017 0.0050 7. 3 2 1 2 2 0 13550.2576 0.0021 0.0020 8. 3 1 2 2 1 1 14132.8576 0.0019 0.0020 ! 9. 4 0 4 3 0 3 16179.9001 0.0010 0.0020 ! ! MMW measurements at IFPAN ! ! type-II bandheads ! 10. 47 0 47 46 0 46 168093.6620 -0.0052 0.0500 11. 46 1 45 45 1 44 168080.0640 -0.0012 0.0500 12. 44 3 41 43 3 40 168069.3500 -0.0280 0.0500 13. 43 4 39 42 4 38 168084.4200 -0.0089 0.0500 14. 42 5 37 41 5 36 168128.0760 -0.0018 0.0500 15.B 41 6 35 40 6 34 168222.3180 B 0.0008 0.0500 1.0E+00 168222.3736 16.B 41 7 35 40 7 34 168222.3180 B 0.0008 0.0500 1.0E+00 168222.2607 17. 40 7 33 39 7 32 168410.9480 0.0177 0.0500 ! 18. 48 0 48 47 0 47 171631.7334 -0.0271 0.0500 19. 47 1 46 46 1 45 171618.0724 -0.0114 0.0500 20. 46 2 44 45 2 43 171608.1580 0.0040 0.0500 21. 45 3 42 44 3 41 171606.3490 0.0161 0.0500 22. 44 4 40 43 4 39 171619.5663 -0.0075 0.0500 23.B 42 6 36 41 6 35 171745.3242 B -0.0067 0.0500 3.4E-05 171745.3576 24.B 42 7 36 41 7 35 171745.3242 B -0.0067 0.0500 3.4E-05 171745.3042 ! 25. 49 0 49 48 0 48 175169.7933 -0.0068 0.0500 26. 48 1 47 47 1 46 175156.0607 0.0074 0.0500 27. 47 2 45 46 2 44 175145.8698 0.0118 0.0500 28. 46 3 43 45 3 42 175143.3210 0.0030 0.0500 29. 45 4 41 44 4 40 175154.9065 0.0040 0.0500 30. 44 5 39 43 5 38 175191.0659 -0.0518 0.0500 31.B 43 6 37 42 6 36 175269.7948 B -0.0052 0.0500 3.5E-05 175269.8125 32.B 43 7 37 42 7 36 175269.7948 B -0.0052 0.0500 3.5E-05 175269.7874 33. 42 7 35 41 7 34 175423.8074 0.0176 0.0500 34. 42 8 35 41 8 34 175422.9263 -0.0085 0.0500 35. 41 8 33 40 8 32 175727.9228 -0.0056 0.0500 36. 41 9 33 40 9 32 175707.3873 0.0843 0.0500 ! 37. 52 0 52 51 0 51 185783.5660 -0.0190 0.0500 38. 51 1 50 50 1 49 185769.6700 0.0187 0.0500 39. 50 2 48 49 2 47 185758.7843 0.0239 0.0500 40. 49 3 46 48 3 45 185754.4065 0.0427 0.0500 41. 48 4 44 47 4 43 185761.7447 0.0032 0.0500 42. 47 5 42 46 5 41 185789.2080 0.0404 0.0500 ! 43. 53 0 53 52 0 52 189321.3929 -0.0055 0.0500 44. 52 1 51 51 1 50 189307.4140 0.0051 0.0500 45. 51 2 49 50 2 48 189296.3045 -0.0103 0.0500 46. 50 3 47 49 3 46 189291.3765 -0.0075 0.0500 47. 49 4 45 48 4 44 189297.5766 0.0064 0.0500 48. 48 5 43 47 5 42 189322.5130 -0.0412 0.0500 49. 47 7 41 46 7 40 189378.6507 0.0063 0.0500 50.B 46 7 39 45 7 38 189486.5490 B 0.0105 0.0500 3.9E-05 189486.5618 51.B 46 8 39 45 8 38 189486.5490 B 0.0105 0.0500 3.9E-05 189486.5152 ! 52. 54 0 54 53 0 53 192859.1470 -0.0052 0.0500 53. 53 1 52 52 1 51 192845.1120 0.0020 0.0500 54.B 52 2 50 51 2 49 192833.6520 B 0.0004 0.0500 1.0E+00 192833.8250 55.B 50 4 46 49 4 45 192833.6520 B 0.0004 0.0500 1.0E+00 192833.4782 56. 51 3 48 50 3 47 192828.3890 -0.0067 0.0500 57. 49 5 44 48 5 43 192856.2560 0.0368 0.0500 58. 48 6 42 47 6 41 192907.9090 -0.0231 0.0500 59.B 47 7 40 46 7 39 193007.3450 B 0.0075 0.0500 1.0E+00 193007.3486 60.B 47 8 40 46 8 39 193007.3450 B 0.0075 0.0500 1.0E+00 193007.3265 61. 46 8 38 45 8 37 193187.9000 0.0313 0.0500 62. 46 9 38 45 9 37 193187.1500 -0.0168 0.0500 63. 45 9 36 44 9 35 193521.4470 -0.0074 0.0500 64. 45 10 36 44 10 35 193505.2620 0.0128 0.0500 65. 44 10 34 43 10 33 194268.0100 0.0089 0.0500 66. 44 11 34 43 11 33 194009.5810 0.0133 0.0500 67. 43 12 32 42 12 31 194293.9030 -0.0086 0.0500 68. 42 13 30 41 13 29 192641.4310 -0.0158 0.0500 69. 41 13 28 40 13 27 194364.5800 0.0014 0.0500 ! 70. 55 0 55 54 0 54 196396.8520 0.0065 0.0500 71. 54 1 53 53 1 52 196382.7420 -0.0112 0.0500 72. 53 2 51 52 2 50 196371.2890 0.0005 0.0500 73. 52 3 49 51 3 48 196365.4150 0.0217 0.0500 74. 51 4 47 50 4 46 196369.4610 0.0096 0.0500 75. 50 5 45 49 5 44 196390.1010 -0.0261 0.0500 76. 49 6 43 48 6 42 196437.8800 0.0315 0.0500 77.B 48 7 41 47 7 40 196529.6370 B 0.0190 0.0500 1.0E+00 196529.6232 78.B 48 8 41 47 8 40 196529.6370 B 0.0190 0.0500 1.0E+00 196529.6127 79.B 47 8 39 46 8 38 196694.7440 B -0.1300 0.0500 1.0E+00 196695.0472 80.B 47 9 39 46 9 38 196694.7440 B -0.1300 0.0500 1.0E+00 196694.7009 ! 81. 59 0 59 58 0 58 210546.9643 -0.0259 0.0500 82. 58 1 57 57 1 56 210532.6989 -0.0212 0.0500 83. 57 2 55 56 2 54 210520.6084 -0.0236 0.0500 84. 56 3 53 55 3 52 210513.1026 -0.0432 0.0500 85. 55 4 51 54 4 50 210513.8112 0.0514 0.0500 86. 54 5 49 53 5 48 210527.5608 -0.0524 0.0500 87. 53 6 47 52 6 46 210562.4064 -0.0213 0.0500 ! 88. 62 0 62 61 0 61 221158.8566 -0.0506 0.0500 89. 61 1 60 60 1 59 221144.5042 -0.0188 0.0500 90. 60 2 58 59 2 57 221132.0241 -0.0243 0.0500 91. 59 3 56 58 3 55 221123.5759 -0.0208 0.0500 92. 58 4 54 57 4 53 221122.1474 -0.0171 0.0500 93. 56 6 50 55 6 49 221159.5942 0.0142 0.0500 94. 55 7 48 54 7 47 221214.1932 -0.0175 0.0500 95.B 54 8 46 53 8 45 221310.7047 B -0.0029 0.0500 4.7E-05 221310.7086 96.B 54 9 46 53 9 45 221310.7047 B -0.0029 0.0500 4.7E-05 221310.7066 ! 97. 63 0 63 62 0 62 224696.1129 0.0377 0.0500 98. 61 2 59 60 2 58 224669.0749 0.0100 0.0500 99. 60 3 57 59 3 56 224660.3666 0.0404 0.0500 100. 59 4 55 58 4 54 224658.3450 0.0529 0.0500 101. 58 5 53 57 5 52 224667.0525 0.0190 0.0500 102. 57 6 51 56 6 50 224692.5255 0.0593 0.0500 103. 56 7 49 55 7 48 224743.4118 0.0118 0.0500 104. 55 8 47 54 8 46 224833.4618 0.0645 0.0500 ! 105. 64 0 64 63 0 63 228233.1337 -0.0386 0.0500 106. 63 1 62 62 1 61 228218.7120 -0.0076 0.0500 107. 62 2 60 61 2 59 228206.0712 0.0538 0.0500 108. 61 3 58 60 3 57 228196.9801 -0.0266 0.0500 109. 60 4 56 59 4 55 228194.3775 -0.0282 0.0500 110. 59 5 54 58 5 53 228202.0460 -0.0225 0.0500 111. 58 6 52 57 6 51 228225.5523 -0.0024 0.0500 112. 57 7 50 56 7 49 228273.0228 -0.0483 0.0500 113. 56 8 48 55 8 47 228357.1190 0.0031 0.0500 ! 114. 65 0 65 64 0 64 231770.2070 0.0093 0.0500 115. 64 1 63 63 1 62 231755.7070 -0.0054 0.0500 116. 63 2 61 62 2 60 231742.8760 -0.0285 0.0500 117. 62 3 59 61 3 58 231733.6580 0.0221 0.0500 118. 61 4 57 60 4 56 231730.5320 0.0321 0.0500 119. 60 5 55 59 5 54 231737.1560 0.0055 0.0500 120. 59 6 53 58 6 52 231758.8038 -0.0170 0.0500 121. 58 7 51 57 7 50 231803.2140 0.0424 0.0500 122. 57 8 49 56 8 48 231881.7250 -0.0254 0.0500 123. 56 10 47 55 10 46 232012.6740 0.0088 0.0500 124.B 55 10 45 54 10 44 232225.9480 B -0.0195 0.0500 1.0E+00 232226.0801 125.B 55 11 45 54 11 44 232225.9480 B -0.0195 0.0500 1.0E+00 232225.8549 ! 126. 66 0 66 65 0 65 235307.1320 -0.0180 0.0500 127. 64 2 62 63 2 61 235279.7220 -0.0024 0.0500 128. 63 3 60 62 3 59 235270.2070 -0.0040 0.0500 129. 62 4 58 61 4 57 235266.5470 -0.0227 0.0500 130. 61 5 56 60 5 55 235272.2850 0.0162 0.0500 131. 59 7 52 58 7 51 235333.6480 -0.0066 0.0500 132. 58 8 50 57 8 49 235407.2250 0.0234 0.0500 133.B 57 9 48 56 9 47 235529.4530 B -0.0013 0.0500 1.0E+00 235529.4561 134.B 57 10 48 56 10 47 235529.4530 B -0.0013 0.0500 1.0E+00 235529.4525 135. 56 10 46 55 10 45 235727.4670 -0.0365 0.0500 136. 56 11 46 55 11 45 235727.4670 0.0752 0.0500 ! 137. 73 0 73 72 0 72 260063.6590 -0.0191 0.0500 138. 72 1 71 71 1 70 260048.9590 -0.0099 0.0500 139. 71 2 69 70 2 68 260035.4470 -0.0144 0.0500 140. 70 3 67 69 3 66 260024.5380 0.0077 0.0500 141.B 69 4 65 68 4 64 260018.1889 B -0.0190 0.0500 5.4E-05 260018.0160 142.B 68 5 63 67 5 62 260018.1889 B -0.0190 0.0500 5.4E-05 260018.4024 143. 67 6 61 66 6 60 260029.0880 0.0077 0.0500 144. 66 7 59 65 7 58 260054.7480 0.0007 0.0500 145. 65 8 57 64 8 56 260101.9930 -0.0416 0.0500 146. 64 9 55 63 9 54 260180.5280 -0.0079 0.0500 ! 147. 79 0 79 78 0 78 281280.3358 -0.0413 0.0500 148. 78 1 77 77 1 76 281265.5587 0.0288 0.0500 149. 77 2 75 76 2 74 281251.6113 -0.0111 0.0500 150. 76 3 73 75 3 72 281239.7824 0.0027 0.0500 151. 75 4 71 74 4 70 281231.5100 0.0381 0.0500 152. 74 5 69 73 5 68 281228.7677 0.1349 0.0500 153. 73 6 67 72 6 66 281233.8826 0.0532 0.0500 154. 72 7 65 71 7 64 281250.4736 -0.0341 0.0500 155. 71 8 63 70 8 62 281283.3514 -0.0089 0.0500 156. 70 9 61 69 9 60 281338.9274 0.0330 0.0500 ! ! High K-1 tails ! 157. 36 12 24 35 12 23 168168.0340 -0.0073 0.0500 158. 37 11 27 36 11 26 168429.4590 0.0058 0.0500 159. 37 14 24 36 14 23 168052.3850 0.0120 0.0500 160. 37 14 23 36 14 22 168234.5040 0.0152 0.0500 ! 161. 38 21 17 37 21 16 168756.2740 0.0089 0.0500 162. 38 22 16 37 22 15 168486.2370 0.0056 0.0500 163. 38 23 15 37 23 14 168252.6600 -0.0093 0.0500 164. 38 24 14 37 24 13 168049.0690 0.0791 0.0500 165. 38 25 13 37 25 12 167870.0852 -0.0080 0.0500 166. 38 26 12 37 26 11 167711.9680 0.0046 0.0500 167. 38 27 11 37 27 10 167571.3870 -0.0056 0.0500 168. 38 28 10 37 28 9 167445.7030 -0.0828 0.0500 169. 38 29 9 37 29 8 167333.0080 -0.0134 0.0500 ! 170. 39 9 31 38 9 30 168745.1870 0.0030 0.0500 171. 39 17 23 38 17 22 175196.3820 0.0079 0.0500 172. 39 17 22 38 17 21 175197.1785 0.0095 0.0500 173. 39 29 10 38 29 9 171818.7277 0.0114 0.0500 174. 39 30 9 38 30 8 171708.7510 0.0015 0.0500 175. 39 31 8 38 31 7 171609.2308 -0.0011 0.0500 176. 39 34 5 38 34 4 171361.0537 -0.0182 0.0500 ! 177. 40 31 9 39 31 8 176084.7920 -0.0096 0.0500 178. 40 34 6 39 34 5 175817.1110 0.0056 0.0500 179. 40 35 5 39 35 4 175742.5698 -0.0014 0.0500 180. 40 36 4 39 36 3 175674.0934 0.0787 0.0500 181. 40 37 3 39 37 2 175610.8567 0.0744 0.0500 182. 40 38 2 39 38 1 175552.3812 0.0735 0.0500 183. 40 39 1 39 39 0 175498.1176 0.0197 0.0500 ! 184. 41 12 29 40 12 28 196267.5920 -0.0105 0.0500 185. 41 16 26 40 16 25 185718.1016 0.0431 0.0500 ! 186. 42 11 31 41 11 30 194060.9650 -0.0188 0.0500 187. 42 13 30 41 13 29 192641.4310 -0.0158 0.0500 188. 42 14 28 41 14 27 195731.2040 0.0137 0.0500 189. 42 15 27 41 15 26 192416.3730 -0.0384 0.0500 ! 190. 43 12 32 42 12 31 194293.9070 -0.0046 0.0500 191. 43 16 28 42 16 27 195639.1020 -0.0021 0.0500 192. 43 16 27 42 16 26 195794.4170 -0.0205 0.0500 193. 43 17 27 42 17 26 194554.0140 -0.0098 0.0500 194. 43 17 26 42 17 25 194572.3690 0.0001 0.0500 195. 43 18 26 42 18 25 193683.8150 0.0031 0.0500 196. 43 18 25 42 18 24 193685.6910 0.1140 0.0500 197.B 43 19 25 42 19 24 192985.3440 B -0.0087 0.0500 1.0E+00 192985.2816 198.B 43 19 24 42 19 23 192985.3440 B -0.0087 0.0500 1.0E+00 192985.4238 199.B 43 20 24 42 20 23 192412.7320 B -0.0194 0.0500 1.0E+00 192412.7465 200.B 43 20 23 42 20 22 192412.7320 B -0.0194 0.0500 1.0E+00 192412.7562 201. 43 32 11 42 32 10 189425.6762 -0.0092 0.0500 202. 43 33 10 42 33 9 189315.1985 -0.0169 0.0500 203. 43 34 9 42 34 8 189214.2865 -0.0063 0.0500 204. 43 35 8 42 35 7 189121.7941 -0.0092 0.0500 205. 43 36 7 42 36 6 189036.8049 0.0122 0.0500 ! 206.B 44 21 24 43 21 23 196617.9130 B -0.0168 0.0500 1.0E+00 196617.9290 207.B 44 21 23 43 21 22 196617.9130 B -0.0168 0.0500 1.0E+00 196617.9305 208. 44 22 22 43 22 21 196179.1290 -0.0540 0.0500 209. 44 23 21 43 23 20 195803.3290 -0.0154 0.0500 210. 44 24 20 43 24 19 195478.0030 -0.0129 0.0500 211. 44 25 19 43 25 18 195193.9130 -0.0208 0.0500 212. 44 26 18 43 26 17 194943.9940 -0.0070 0.0500 213. 44 27 17 43 27 16 194722.6650 -0.0040 0.0500 214. 44 28 16 43 28 15 194525.5220 -0.0050 0.0500 215. 44 29 15 43 29 14 194349.0250 0.0061 0.0500 216. 44 31 13 43 31 12 194046.8160 0.0107 0.0500 217. 44 32 12 43 32 11 193916.6990 -0.0162 0.0500 218. 44 33 11 43 33 10 193798.2800 -0.0215 0.0500 219. 44 34 10 43 34 9 193690.1420 -0.0099 0.0500 220. 44 35 9 43 35 8 193591.0660 0.0011 0.0500 221. 44 36 8 43 36 7 193500.0080 -0.0042 0.0500 222. 44 37 7 43 37 6 193416.0850 -0.0240 0.0500 223. 44 38 6 43 38 5 193338.5590 -0.0309 0.0500 224. 44 39 5 43 39 4 193266.7830 -0.0070 0.0500 225. 44 40 4 43 40 3 193200.1220 -0.0070 0.0500 226. 44 41 3 43 41 2 193138.0740 -0.0246 0.0500 ! 227. 47 22 26 46 22 25 210225.4559 0.0525 0.0500 ! 228. 48 14 34 47 14 33 229869.6700 -0.0123 0.0500 ! 229. 49 14 35 48 14 34 233589.9950 -0.0267 0.0500 230. 49 15 34 48 15 33 234435.7650 -0.0097 0.0500 231. 49 16 33 48 16 32 229463.4000 -0.0098 0.0500 232. 49 17 33 48 17 32 224595.2077 0.0124 0.0500 233. 49 20 29 48 20 28 221102.4417 -0.0172 0.0500 234. 49 20 30 48 20 29 221100.8400 -0.0146 0.0500 ! 235. 50 13 37 49 13 36 229172.6040 -0.0382 0.0500 236. 50 15 36 49 15 35 229568.0350 0.0456 0.0500 237. 50 16 35 49 16 34 230438.6040 0.0124 0.0500 238. 50 16 34 49 16 33 235896.3950 0.0140 0.0500 239. 50 17 34 49 17 33 229656.5720 -0.0336 0.0500 240. 50 17 33 49 17 32 231081.8354 -0.0097 0.0500 241. 50 18 33 49 18 32 228290.5606 0.0003 0.0500 242.B 50 22 28 49 22 27 224431.7950 B 0.0140 0.0500 3.5E-05 224431.7934 243.B 50 22 29 49 22 28 224431.7950 B 0.0140 0.0500 3.5E-05 224431.7686 244. 50 31 19 49 31 18 221188.0233 -0.0220 0.0500 245. 50 32 18 49 32 17 220995.4557 -0.0282 0.0500 246. 50 33 17 49 33 16 220820.5612 -0.0236 0.0500 ! 247. 51 13 38 50 13 37 231899.2180 0.0562 0.0500 248. 51 14 38 50 14 37 230322.4690 -0.0040 0.0500 249. 51 15 37 50 15 36 233597.7220 -0.0051 0.0500 250. 51 16 36 50 16 35 235085.2160 0.0355 0.0500 251. 51 17 35 50 17 34 234683.0070 0.0053 0.0500 252. 51 18 33 50 18 32 233805.9330 0.0661 0.0500 253. 51 18 34 50 18 33 233368.9010 -0.0059 0.0500 254. 51 19 32 50 19 31 232072.9600 -0.0416 0.0500 255. 51 20 31 50 20 30 230885.5560 -0.0208 0.0500 256. 51 20 32 50 20 31 230878.3910 -0.0257 0.0500 257. 51 21 31 50 21 30 229961.4460 0.0201 0.0500 258. 51 21 30 50 21 29 229962.0610 -0.0619 0.0500 259.B 51 22 29 50 22 28 229207.4044 B -0.0437 0.0500 3.6E-05 229207.4773 260.B 51 22 30 50 22 29 229207.4044 B -0.0437 0.0500 3.6E-05 229207.4190 261. 51 36 15 50 36 14 224879.9769 0.0080 0.0500 262. 51 37 14 50 37 13 224749.2941 0.0170 0.0500 263. 51 38 13 50 38 12 224628.7287 0.0007 0.0500 264. 51 39 12 50 39 11 224517.3543 0.1062 0.0500 265. 51 40 11 50 40 10 224413.8809 -0.0229 0.0500 266. 51 41 10 50 41 9 224317.8563 -0.0246 0.0500 267. 51 42 9 50 42 8 224228.4485 -0.0168 0.0500 ! 268. 52 12 40 51 12 39 229855.9800 -0.0382 0.0500 269. 52 13 40 51 13 39 229702.9380 0.0073 0.0500 270. 52 13 39 51 13 38 234810.9180 -0.0195 0.0500 271. 52 20 33 51 20 32 235816.3680 -0.0160 0.0500 272. 52 20 32 51 20 31 235830.9970 0.0231 0.0500 273. 52 21 32 51 21 31 234820.4090 0.0200 0.0500 274. 52 21 31 51 21 30 234821.9040 0.0048 0.0500 275. 52 22 31 51 22 30 234005.2380 0.0694 0.0500 276. 52 22 30 51 22 29 234005.2380 -0.0645 0.0500 277. 52 23 30 51 23 29 233324.6340 -0.0192 0.0500 278. 52 24 28 51 24 27 232746.7950 -0.0257 0.0500 279. 52 25 27 51 25 26 232249.5030 -0.0189 0.0500 280. 52 27 25 51 27 24 231437.1560 0.0191 0.0500 281. 52 29 23 51 29 22 230802.3140 -0.0375 0.0500 282. 52 30 22 51 30 21 230534.7130 -0.0280 0.0500 283. 52 31 21 51 31 20 230293.9830 0.0120 0.0500 284. 52 32 20 51 32 19 230076.3250 -0.0451 0.0500 285. 52 34 18 51 34 17 229699.0340 -0.0046 0.0500 286. 52 35 17 51 35 16 229534.6560 0.0127 0.0500 287. 52 36 16 51 36 16 229383.8870 -0.0223 0.0500 288. 52 37 15 51 37 14 229245.2290 -0.0637 0.0500 289. 52 38 14 51 38 13 229117.4700 0.0033 0.0500 ! 290. 52 46 6 51 46 5 228372.2734 -0.0205 0.0500 291. 52 47 5 51 47 4 228304.0225 -0.0243 0.0500 292. 52 48 4 51 48 3 228239.7451 -0.0426 0.0500 293. 52 49 3 51 49 2 228179.1764 -0.0079 0.0500 294. 52 50 2 51 50 1 228122.0111 0.0727 0.0500 ! 295. 53 11 42 52 11 41 229115.1560 0.0131 0.0500 296. 53 12 41 52 12 40 233217.1960 -0.0108 0.0500 297. 53 12 42 52 12 41 229105.4030 -0.0209 0.0500 298. 53 13 41 52 13 40 233131.2390 0.0090 0.0500 299. 53 27 26 52 27 25 236074.7180 -0.0110 0.0500 300. 53 28 25 52 28 24 235717.0830 -0.0218 0.0500 301. 53 29 24 52 29 23 235399.0930 0.0032 0.0500 302. 53 30 23 52 30 22 235114.5920 -0.0455 0.0500 303. 53 31 22 52 31 21 234858.8890 0.0015 0.0500 304. 53 32 21 52 32 20 234627.8260 -0.0532 0.0500 305. 53 33 20 52 33 19 234418.3400 -0.0072 0.0500 306. 53 34 19 52 34 18 234227.5720 0.0001 0.0500 307. 53 35 18 52 35 17 234053.1940 -0.0744 0.0500 308. 53 36 17 52 36 16 233893.4800 -0.0215 0.0500 309. 53 37 16 52 37 15 233746.6090 -0.0117 0.0500 310. 53 38 15 52 38 14 233611.1790 -0.0309 0.0500 311. 53 39 14 52 39 13 233486.0050 -0.0416 0.0500 312. 53 40 13 52 40 12 233370.0850 0.0148 0.0500 313. 53 41 12 52 41 11 233262.3570 0.0007 0.0500 314. 53 42 11 52 42 10 233162.0850 -0.0103 0.0500 315. 53 43 10 52 43 9 233068.5580 -0.0178 0.0500 316. 53 44 9 52 44 8 232981.1330 -0.0367 0.0500 317. 53 45 8 52 45 7 232899.3090 -0.0121 0.0500 318. 53 46 7 52 46 6 232822.5240 -0.0121 0.0500 319. 53 47 6 52 47 5 232750.3600 -0.0143 0.0500 320. 53 48 5 52 48 4 232682.4030 -0.0395 0.0500 321. 53 49 4 52 49 3 232618.2880 -0.1000 0.0500 322. 53 50 3 52 50 2 232557.9319 0.0378 0.0500 323. 53 51 2 52 51 1 232500.7273 0.0519 0.0500 324. 53 52 1 52 52 0 232446.5126 0.0381 0.0500 ! 325. 54 11 43 53 11 42 232578.3430 -0.0005 0.0500 326. 54 12 43 53 12 42 232573.2180 -0.0160 0.0500 327. 54 16 38 53 16 37 259202.7210 -0.0059 0.0500 ! 328. 55 11 44 54 11 43 236050.0433 -0.0302 0.0500 329. 55 12 44 54 12 43 236047.4070 -0.0080 0.0500 ! 330. 56 15 41 55 15 40 259138.6730 0.0011 0.0500 ! 331. 57 16 42 56 16 41 259223.1850 -0.0219 0.0500 332. 57 21 37 56 21 36 259592.0020 0.0140 0.0500 333. 57 21 36 56 21 35 259643.0700 -0.0323 0.0500 ! 334. 58 26 32 57 26 31 260006.2640 -0.0216 0.0500 335. 58 27 31 57 27 30 259451.7660 -0.0501 0.0500 336. 58 28 30 57 28 29 258965.9760 0.0662 0.0500 337. 58 31 27 57 31 26 257812.1800 -0.0266 0.0500 ! 338. 59 13 46 58 13 45 257835.1620 0.0029 0.0500 339. 59 14 46 58 14 45 257815.4440 -0.0115 0.0500 340. 59 43 16 58 43 15 259935.2820 -0.0065 0.0500 341. 59 45 14 58 45 13 259702.4600 0.0065 0.0500 342. 59 46 13 58 46 12 259597.0120 0.0059 0.0500 343. 59 47 12 58 47 11 259498.0280 0.0103 0.0500 344. 59 48 11 58 48 10 259404.9360 0.0016 0.0500 345. 59 49 10 58 49 9 259317.2480 -0.0126 0.0500 346. 59 50 9 58 50 8 259234.5810 0.0290 0.0500 347. 59 51 8 58 51 7 259156.4260 0.0171 0.0500 348. 59 53 6 58 53 5 259012.3290 -0.0837 0.0500 349. 59 54 5 58 54 4 258945.9330 -0.0063 0.0500 ! 350. 60 19 41 59 19 40 283742.1760 -0.0112 0.0500 ! 351. 62 21 42 61 21 41 285217.9730 -0.0199 0.0500 352. 62 22 41 61 22 40 283574.1010 -0.0045 0.0500 353. 62 22 40 61 22 39 283734.1400 -0.0103 0.0500 354. 62 24 39 61 24 38 280938.7945 0.0740 0.0500 355. 62 24 38 61 24 37 280941.2775 0.0542 0.0500 ! 356. 63 27 36 62 27 35 283193.9760 0.0081 0.0500 357. 63 27 37 62 27 36 283193.9760 0.0121 0.0500 ! 358. 64 15 49 63 15 48 283262.8831 0.0374 0.0500 359. 64 31 33 63 31 32 285674.5650 -0.0017 0.0500 360. 64 32 32 63 32 31 285247.6400 -0.0126 0.0500 361. 64 37 27 63 37 26 283648.5000 -0.0286 0.0500 362. 64 38 26 63 38 25 283406.4440 0.0650 0.0500 363. 64 39 25 63 39 24 283183.2980 -0.0076 0.0500 364. 64 53 11 63 53 10 281269.2799 0.0521 0.0500 365. 64 55 9 63 55 8 281105.1324 0.0238 0.0500 ! 366. 65 54 11 64 54 10 285641.3635 0.0173 0.0500 367. 65 55 10 64 55 9 285557.7300 -0.0016 0.0500 ! 368. 67 13 54 66 13 53 285540.5480 -0.0409 0.0500 369. 67 14 54 66 14 53 285540.5480 0.0673 0.0500 ! 370. 68 12 56 67 12 55 285262.2230 0.0325 0.0500 371. 68 13 56 67 13 55 285262.2230 0.0366 0.0500 ! 372. 69 20 50 68 20 49 317058.1900 -0.0350 0.0500 ! 373. 70 18 52 69 18 51 317230.5859 -0.0062 0.0500 374. 70 27 44 69 27 43 317235.3820 -0.0171 0.0500 375. 70 27 43 69 27 42 317236.3500 0.0198 0.0500 ! 376. 71 33 38 70 33 37 317545.8250 -0.0202 0.0500 377. 71 34 37 70 34 36 317051.9100 -0.0219 0.0500 ! 378. 72 49 23 71 49 22 317588.8350 0.0055 0.0500 379. 72 50 22 71 50 21 317439.4300 0.0272 0.0500 380. 72 51 21 71 51 20 317298.5730 0.0345 0.0500 381. 72 52 20 71 52 19 317165.5744 0.0288 0.0500 382. 72 53 19 71 53 18 317039.8490 0.0464 0.0500 ! 383.B 74 15 59 73 15 58 317610.7270 B 0.0226 0.0500 1.0E+00 317610.7670 384.B 74 16 59 73 16 58 317610.7270 B 0.0226 0.0500 1.0E+00 317610.6418 ! 385. 75 15 61 74 15 60 317273.4340 -0.0136 0.0500 ! 386. 76 13 63 75 13 62 317038.6030 -0.0210 0.0500 ! ! aR_2,-1 ! 387. 26 9 17 25 7 18 195709.5760 -0.0238 0.0500 388. 27 9 19 26 7 20 232675.1092 -0.0084 0.0500 ! ! Q-types ! 389. 52 3 50 52 1 51 175464.6150 0.0274 0.0500 390. 59 4 56 59 2 57 195263.5046 -0.0058 0.0500 391. 60 4 56 60 4 57 193821.1250 -0.0042 0.0500 392. 61 6 56 61 4 57 192284.5180 0.0215 0.0500 393. 62 5 57 62 5 58 195825.3100 -0.0309 0.0500 394. 63 7 57 63 5 58 194196.6565 0.0075 0.0500 395. 64 7 57 64 7 58 192460.2500 0.0001 0.0500 396. 64 10 54 64 10 55 175611.8131 0.0670 0.0500 397. 66 8 58 66 8 59 194183.4234 -0.0485 0.0500 398. 67 9 58 67 9 59 192220.7360 -0.0315 0.0500 399. 68 9 59 68 9 60 195813.3390 0.0094 0.0500 400. 69 3 66 69 3 67 230532.5056 0.0224 0.0500 401. 69 8 62 69 6 63 210250.8212 0.0000 0.0500 402. 69 10 59 69 10 60 193736.5360 0.0054 0.0500 403. 70 4 66 70 4 67 229133.5246 0.0095 0.0500 404. 71 4 67 71 4 68 232662.3930 0.0553 0.0500 405. 71 11 60 71 11 61 195150.8160 -0.0237 0.0500 406. 71 12 59 71 12 60 189129.8458 -0.0197 0.0500 407. 72 6 67 72 4 68 231191.7570 0.0347 0.0500 408. 72 12 60 72 12 61 192798.5691 -0.0248 0.0500 409. 73 6 68 73 4 69 234724.7930 -0.0474 0.0500 410. 73 7 67 73 5 68 229641.1870 0.0340 0.0500 411. 73 8 66 73 6 67 224456.7866 -0.0384 0.0500 412. 74 6 68 74 6 69 233180.4870 0.0049 0.0500 413. 75 7 68 75 7 69 231552.5445 0.0348 0.0500 414. 75 10 66 75 8 67 220880.9784 -0.0523 0.0500 415. 76 8 68 76 8 69 229835.1070 -0.0268 0.0500 416. 76 15 62 76 13 63 195026.7973 0.0119 0.0500 417. 77 9 69 77 7 70 233390.8560 -0.0236 0.0500 418. 77 10 68 77 8 69 228021.8365 -0.0324 0.0500 419. 77 15 62 77 15 63 192190.5640 -0.0059 0.0500 420. 78 15 63 78 15 64 195960.3896 0.0970 0.0500 421.? 79 10 69 79 10 70 229687.1875 0.1514 0.0500 >3*Err 422. 79 10 70 79 8 71 235154.7960 -0.1191 0.0500 423. 80 10 70 80 10 71 233266.2070 -0.0345 0.0500 424. 81 12 70 81 10 71 231271.6610 0.0081 0.0500 425. 82 12 71 82 10 72 234864.2020 -0.0085 0.0500 426. 83 13 71 83 11 72 232773.7680 -0.0002 0.5000 427. 85 13 72 85 13 73 234191.2263 -0.0101 0.0500 428. 83 14 69 83 14 70 220894.4201 -0.0235 0.0500 429. 84 14 71 84 12 72 230562.4453 -0.0300 0.0500 430. 87 14 73 87 14 74 235521.6758 -0.0191 0.0500 431. 88 15 73 88 15 74 233092.4811 0.0223 0.0500 432. 89 16 73 89 16 74 230515.0958 0.0708 0.0500 ------------------------------------------------------------------------------------------------------ Sigma = 0.032664 414 Distinct lines in fit Sigma.w = 0.662417 406 Degrees of freedom A /MHz 5641.44801(70) LJK /mHz 0.0 B /MHz 2571.804925(80) LKKJ/mHz 0.0 C /MHz 1769.693451(57) LK /mHz 0.0 DJ /kHz 0.133991(11) lJ /mHz 0.0 DJK /kHz 0.217720(48) lJK /mHz 0.0 DK /kHz 0.7306(10) lKJ /mHz 0.0 dJ /kHz 0.0437479(66) lK /mHz 0.0 dK /kHz 0.361326(79) 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 -0.2703 1.0000 C 0.1324 -0.1168 1.0000 DJ -0.6422 0.6800 0.1981 1.0000 DJK 0.7837 -0.2650 0.0986 -0.7704 1.0000 DK 0.8502 -0.4291 0.1206 -0.7600 0.7839 1.0000 dJ -0.5649 0.7604 -0.4556 0.7272 -0.6528 -0.7672 1.0000 dK -0.7878 0.1466 0.0183 0.6150 -0.7544 -0.5794 0.3863 1.0000 Mean value of |C.ij|, i.ne.j = 0.5042 Mean value of C.ij, i.ne.j = -0.0541 Distribution of values of |C.ij|, i.ne.j: 10 20 30 40 50 60 ....,....|....,....|....,....|....,....|....,....|....,....|....,.. 1 <0.05 * 1 <0.10 * 4 <0.15 **** 1 <0.20 * 0 <0.25 2 <0.30 ** 0 <0.35 1 <0.40 * 1 <0.45 * 1 <0.50 * 0 <0.55 2 <0.60 ** 2 <0.65 ** 2 <0.70 ** 1 <0.75 * 8 <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 = 0.0189 WORST FITTING LINES (line number=(o-c)/error): 421= 3.0 152= 2.7 79= -2.6 422= -2.4 196= 2.3 264= 2.1 321= -2.0 _______________________________________________________________________________