ASFIT version 29.V.2015 _______________________________________________________________________________ 1,1,1-trichloroethane, single 37.Cl substitution _______________________________________________________________________________ Fit of Watson's Hamiltonian --> reduction-S, representation-III.r: A = 2370.3583957221171658603 +- 0.0001431794731085926 B = 2310.9055006236471854209 +- 0.0001338808624548024 C = 1679.2034965703194302478 +- 0.0044459975051000054 DJ = 0.0004112919176584698 +- 0.0000000217455350212 DJK = -0.0003601131406914157 +- 0.0000000726013089604 DK = 0.0001272434279379109 +- 0.0000185876654031973 d1 = -0.0000038990027612477 +- 0.0000000058903866696 d2 = 0.0000013956937338707 +- 0.0000000081787930620 HJ = 0.0000000001216627878 +- 0.0000000000018438275 HJK = -0.0000000003687489585 +- 0.0000000000063941754 HKJ = 0.0000000004804392218 +- 0.0000000000116199546 h3 = -0.0000000000153307747 +- 0.0000000000008522993 Deviation of fit = 0.041088 Weighted deviation of fit = 0.806808 ------------------------------------------------------------------------------------------------------ TRANSITION Observed Obs-Calc Error Note Blend components ------------------------------------------------------------------------------------------------------ 1. 26 26 0 25 25 0 123026.5250 0.0058 0.0300 2. 26 22 4 25 21 4 121139.7940 -0.0057 0.0300 3. 26 23 4 25 22 4 121814.5700 -0.0034 0.0300 4. 26 21 5 25 20 5 120919.5130 0.0176 0.0300 5. 26 20 6 25 19 6 121161.7000 -0.0042 0.0300 6. 26 21 6 25 20 6 121404.3040 -0.0112 0.0300 7. 26 19 7 25 18 7 121384.3370 -0.0104 0.0300 8. 26 20 7 25 19 7 121423.9920 0.0012 0.0300 9. 26 18 8 25 17 8 121472.5330 -0.0024 0.0300 10. 26 19 8 25 18 8 121476.2460 -0.0074 0.0300 11. 26 16 10 25 15 10 121548.3260 -0.0158 0.0300 12. 26 17 10 25 16 10 121548.3260 -0.0273 0.0300 13. 26 14 12 25 13 12 121586.7130 -0.0122 0.0300 14. 26 12 14 25 11 14 121609.8740 -0.0017 0.0300 15. 26 10 16 25 9 16 121625.2470 -0.0103 0.0300 16. 26 8 18 25 7 18 121636.2610 0.0031 0.0300 17. 26 6 20 25 5 20 121644.6090 -0.0105 0.0300 18. 31 28 3 30 27 3 145459.4440 0.0015 0.0300 19. 31 28 4 30 27 4 145476.7920 -0.0337 0.0300 20. 31 29 2 30 28 2 145891.3600 -0.0338 0.0300 21. 31 29 3 30 28 3 145892.5840 0.0185 0.0300 22. 32 27 5 31 26 5 149087.9670 0.0417 0.0300 23. 32 28 5 31 27 5 149807.4640 -0.0278 0.0300 24. 32 27 6 31 26 6 149492.0060 0.0395 0.0300 25. 32 26 7 31 25 7 149357.1260 0.0312 0.0300 26. 32 24 8 31 23 8 149308.1900 -0.0686 0.0300 27. 32 25 8 31 24 8 149375.6890 -0.0465 0.0300 28. 32 23 9 31 22 9 149434.1960 -0.0222 0.0300 29. 32 24 9 31 23 9 149441.8870 -0.0106 0.0300 30. 32 20 12 31 19 12 149573.2710 -0.0200 0.0300 31. 32 21 12 31 20 12 149573.2710 -0.0217 0.0300 32. 32 17 15 31 16 15 149632.1670 0.0172 0.0300 33. 32 12 20 31 11 20 149679.4410 -0.0037 0.0300 34. 32 8 24 31 7 24 149700.3320 -0.0089 0.0300 35. 32 5 27 31 4 27 149711.8690 -0.0117 0.0300 36. 35 35 0 34 34 0 165651.0770 0.0205 0.0300 37. 35 34 1 34 33 1 165244.8510 -0.0135 0.1000 38. 35 32 3 34 31 3 164416.3270 0.0066 0.0300 39. 35 31 4 34 30 4 163962.4930 -0.0232 0.0300 40. 35 32 4 34 31 4 164419.6290 0.0050 0.0300 41. 35 30 5 34 29 5 163387.3420 0.0170 0.0300 42. 35 30 6 34 29 6 163617.9770 -0.0040 0.0300 43. 35 29 7 34 28 7 163374.7470 -0.0155 0.0300 44. 35 28 8 34 27 8 163321.2610 0.0117 0.0300 45. 35 27 9 34 26 9 163378.3440 0.0097 0.0300 46. 35 25 10 34 24 10 163447.2630 -0.0401 0.0300 47. 35 26 10 34 25 10 163450.4960 -0.0305 0.0300 48. 35 23 12 34 22 12 163549.5250 0.0326 0.0300 49. 35 24 12 34 23 12 163549.5250 0.0182 0.0300 50. 35 22 13 34 21 13 163581.7070 0.0384 0.0300 51. 35 21 14 34 20 14 163606.9720 0.0657 0.0300 52. 35 20 15 34 19 15 163627.1660 -0.0340 0.0300 53. 35 19 16 34 18 16 163643.9360 0.0834 0.0300 54. 35 18 17 34 17 17 163657.7470 -0.0089 0.0300 55. 35 17 18 34 16 18 163669.5080 -0.0342 0.0300 56. 35 16 19 34 15 19 163679.7280 0.0566 0.0300 57. 35 15 20 34 14 20 163688.4500 -0.0359 0.0300 58. 35 14 21 34 13 21 163696.2670 0.0216 0.1000 59. 35 13 22 34 12 22 163703.1350 -0.0149 0.1000 60. 35 12 23 34 11 23 163709.3400 -0.0160 0.0300 61. 35 11 24 34 10 24 163715.0130 0.0255 0.0300 62. 35 10 25 34 9 25 163720.1660 0.0225 0.0300 63. 35 9 26 34 8 26 163724.9180 0.0139 0.0300 64. 35 7 28 34 6 28 163733.4580 -0.0312 0.0300 65. 35 6 29 34 5 29 163737.3960 -0.0160 0.0300 66. 35 5 30 34 4 30 163741.1200 -0.0204 0.0300 67. 39 39 0 38 38 0 184586.6410 0.0134 0.0300 68. 39 38 1 38 37 1 184180.7570 -0.0121 0.0300 69. 39 39 1 38 38 1 184586.6410 0.0134 0.0300 70. 39 37 2 38 36 2 183772.5030 0.0309 0.0300 71. 39 38 2 38 37 2 184180.7570 -0.0128 0.0300 72. 39 37 3 38 36 3 183772.5030 0.0059 0.0300 73. 39 35 4 38 34 4 182928.8020 -0.0134 0.0300 74. 39 35 5 38 34 5 182936.7510 -0.0004 0.0300 75. 39 34 6 38 33 6 182515.1040 0.0189 0.0300 76. 39 33 7 38 32 7 182154.4320 0.0272 0.0300 77. 39 29 10 38 28 10 182002.2100 0.0083 0.0300 78. 39 30 10 38 29 10 182024.2170 -0.0423 0.0300 79. 39 28 11 38 27 11 182100.2660 -0.0318 0.0300 80. 39 26 13 38 25 13 182209.0150 0.0035 0.0300 81. 39 27 13 38 26 13 182209.0150 -0.0072 0.0300 82. 39 25 14 38 24 14 182244.5920 -0.0098 0.0300 83. 39 24 15 38 23 15 182272.9590 -0.0079 0.0300 84. 39 23 16 38 22 16 182296.0960 0.0111 0.0300 85. 39 22 17 38 21 17 182315.2720 -0.0037 0.0300 86. 39 21 18 38 20 18 182331.4920 0.0330 0.0300 87. 39 20 19 38 19 19 182345.2770 -0.0196 0.0300 88. 39 19 20 38 18 20 182357.2800 0.0031 0.0300 89. 39 18 21 38 17 21 182367.7670 -0.0010 0.0300 90. 39 17 22 38 16 22 182377.0530 0.0009 0.0300 91. 39 16 23 38 15 23 182385.3240 -0.0252 0.0300 92. 39 15 24 38 14 24 182392.8330 0.0002 0.0300 93. 39 14 25 38 13 25 182399.6450 0.0034 0.0300 94. 40 32 8 39 31 8 185990.8580 0.0258 0.0300 95. 40 33 7 39 32 7 185997.3140 -0.0096 0.0300 96. 40 31 9 39 30 9 186384.4320 0.0298 0.0300 97. 40 34 6 39 33 6 186583.0190 -0.0054 0.0300 98. 40 32 9 39 31 9 186593.5720 0.0073 0.0300 99. 40 30 10 39 29 10 186629.4780 0.1135 0.1000 100. 40 33 8 39 32 8 186632.4730 -0.0037 0.0300 101. 40 31 10 39 30 10 186663.3440 0.0019 0.0300 102. 40 29 11 39 28 11 186742.6300 0.0091 0.0300 103. 40 30 11 39 29 11 186746.3160 -0.0218 0.0300 104. 40 27 13 39 26 13 186862.2460 0.0074 0.0300 105. 40 28 13 39 27 13 186862.2460 -0.0128 0.0300 106. 40 34 7 39 33 7 186864.7090 -0.0542 0.0300 107. 43 43 0 42 42 0 203515.9810 0.0084 0.1000 108. 43 42 1 42 41 1 203110.4220 0.0425 0.1000 109. 43 41 2 42 40 2 202702.9350 0.0279 0.0300 110. 43 40 3 42 39 3 202291.2880 0.0196 0.0300 111. 43 39 4 42 38 4 201870.8000 0.0355 0.0300 112. 43 40 4 42 39 4 202291.2880 -0.0666 0.0300 113. 43 38 5 42 37 5 201426.3260 -0.0092 0.0300 114. 43 39 5 42 38 5 201872.2500 0.0146 0.0300 115. 43 38 6 42 37 6 201443.4470 0.0791 0.0300 116. 44 44 0 43 43 0 208247.2530 -0.0089 0.1000 117. 44 43 1 43 42 1 207841.7710 0.0426 0.1000 118. 44 42 2 43 41 2 207434.4780 0.0538 0.1000 119. 44 41 3 43 40 3 207023.3100 0.0692 0.1000 120. 44 39 5 43 38 5 206164.9380 -0.0158 0.1000 121. 44 38 6 43 37 6 205656.7240 -0.0242 0.1000 122. 44 39 6 43 38 6 206176.5470 0.0299 0.1000 123. 44 36 8 43 35 8 204486.5720 -0.0334 0.1000 124. 44 36 9 43 35 9 205210.0570 -0.0053 0.1000 125. 44 35 10 43 34 10 205213.7660 0.0286 0.1000 126. 44 33 11 43 32 11 205277.5460 -0.0223 0.1000 127. 44 34 11 43 33 11 205301.2900 0.0731 0.1000 128. 44 32 12 43 31 12 205387.1660 0.0884 0.1000 129. 44 33 12 43 32 12 205389.6640 0.0356 0.1000 130. 44 29 15 43 28 15 205553.9330 0.0022 0.1000 131. 44 27 17 43 26 17 205615.4340 0.0278 0.1000 132. 44 25 19 43 24 19 205658.4150 0.0119 0.1000 133. 44 22 22 43 21 22 205703.2630 0.0314 0.1000 134. 44 20 24 43 19 24 205725.1980 0.0236 0.1000 135. 44 18 26 43 17 26 205743.0000 -0.0955 0.1000 136. 44 16 28 43 15 28 205758.2370 0.0425 0.1000 137. 44 15 29 43 14 29 205764.9070 -0.0407 0.1000 138. 44 13 31 43 12 31 205777.2390 0.0000 0.1000 139. 44 11 33 43 10 33 205788.3540 0.0722 0.1000 140. 47 42 5 46 41 5 220371.0550 0.0090 0.0300 141. 47 42 6 46 41 6 220374.4680 -0.0270 0.0300 142. 47 44 3 46 43 3 221216.2010 0.0230 0.0300 143. 47 44 4 46 43 4 221216.2010 0.0105 0.0300 144. 47 46 1 46 45 1 222033.0700 -0.0230 0.0300 145. 47 47 0 46 46 0 222438.4510 -0.0074 0.0300 146. 48 45 3 47 44 3 225946.1510 -0.0026 0.0300 147. 48 45 4 47 44 4 225946.1510 -0.0103 0.0300 148. 48 43 5 47 42 5 225103.9660 -0.0247 0.0300 149. 48 42 6 47 41 6 224647.4530 0.0029 0.0300 150. 48 43 6 47 42 6 225106.2260 -0.0377 0.0300 151. 48 42 7 47 41 7 224670.7750 0.0321 0.0300 152. 48 40 8 47 39 8 223374.6990 -0.0270 0.0300 153. 48 41 8 47 40 8 224247.5280 0.0133 0.0300 154. 48 39 9 47 38 9 223010.1610 0.0024 0.0300 155. 48 40 9 47 39 9 223922.4200 0.0201 0.0300 156. 48 38 10 47 37 10 223314.4350 0.0199 0.0300 157. 48 39 10 47 38 10 223791.9860 -0.0058 0.0300 158. 48 37 11 47 36 11 223719.6460 -0.0021 0.0300 159. 48 38 11 47 37 11 223832.9060 0.0216 0.0300 160. 48 36 12 47 35 12 223917.3890 0.0165 0.0300 161. 48 37 12 47 36 12 223933.6820 0.0065 0.0300 162. 48 35 13 47 34 13 224024.3960 -0.0052 0.0300 163. 48 36 13 47 35 13 224026.1090 -0.0304 0.0300 164. 48 34 14 47 33 14 224098.2410 0.0773 0.0300 165. 48 35 14 47 34 14 224098.2410 -0.0698 0.0300 166. 48 33 15 47 32 15 224154.4480 -0.0010 0.0300 167. 48 32 16 47 31 16 224199.2610 0.0251 0.0300 168. 48 31 17 47 30 17 224235.8040 0.0161 0.0300 169. 48 30 18 47 29 18 224266.2130 0.0159 0.0300 170. 48 29 19 47 28 19 224291.8910 -0.0070 0.0300 171. 48 28 20 47 27 20 224313.9190 0.0044 0.0300 172. 48 27 21 47 26 21 224333.0020 0.0019 0.0300 173. 48 26 22 47 25 22 224349.7250 0.0034 0.0300 174. 48 25 23 47 24 23 224364.5020 -0.0129 0.0300 175. 48 24 24 47 23 24 224377.7300 0.0099 0.0300 176. 48 23 25 47 22 25 224389.6060 -0.0004 0.0300 177. 48 22 26 47 21 26 224400.3810 -0.0087 0.0300 178. 48 21 27 47 20 27 224410.2500 0.0052 0.0300 179. 48 20 28 47 19 28 224419.3220 0.0071 0.0300 180. 48 19 29 47 18 29 224427.7220 0.0041 0.0300 181. 48 18 30 47 17 30 224435.5350 -0.0169 0.0300 182. 48 17 31 47 16 31 224442.8940 -0.0053 0.0300 183. 48 16 32 47 15 32 224449.8270 -0.0023 0.0300 184. 48 15 33 47 14 33 224456.4070 0.0063 0.0300 185. 48 14 34 47 13 34 224462.6680 0.0045 0.0300 186. 48 10 38 47 9 38 224485.4020 -0.0038 0.0300 187. 48 9 39 47 8 39 224490.6650 -0.0001 0.0300 188. 48 6 42 47 5 42 224505.7790 0.0014 0.0300 189. 48 5 43 47 4 43 224510.6400 -0.0084 0.0300 190. 48 4 44 47 3 44 224515.4460 -0.0130 0.0300 191. 57 57 0 56 56 0 269710.4140 -0.0938 0.1000 192. 57 56 1 56 55 1 269305.6930 0.0504 0.1000 193. 57 55 2 56 54 2 268899.8680 0.0258 0.1000 194. 57 54 3 56 53 3 268492.2020 0.0409 0.1000 195. 57 53 4 56 52 4 268081.1310 -0.0607 0.1000 196. 57 52 6 56 51 6 267664.7490 -0.0184 0.1000 197. 57 52 5 56 51 5 267664.7490 0.0241 0.1000 198. 58 47 11 57 46 11 269344.1540 0.1051 0.1000 199. 58 48 11 57 47 11 270340.1160 0.0452 0.1000 200. 58 47 12 57 46 12 270237.5330 0.0634 0.1000 201. 58 46 13 57 45 13 270304.8700 -0.0883 0.1000 202. 58 44 14 57 43 14 270409.0180 -0.1075 0.1000 203. 58 45 14 57 44 14 270426.7770 -0.1109 0.1000 204. 58 43 16 57 42 16 270624.8910 -0.0476 0.1000 205. 58 41 17 57 40 17 270694.5940 0.0503 0.1000 206. 58 40 18 57 39 18 270751.1480 0.0506 0.1000 207. 58 39 19 57 38 19 270798.0460 0.0435 0.1000 208. 58 38 20 57 37 20 270837.6190 0.0261 0.1000 209. 58 37 21 57 36 21 270871.5490 0.0591 0.1000 210. 58 35 23 57 34 23 270926.6420 0.0466 0.1000 211. 58 33 25 57 32 25 270969.6580 0.0267 0.1000 212. 58 31 27 57 30 27 271004.3930 0.0180 0.1000 213. 58 28 30 57 27 30 271045.9010 -0.0812 0.1000 214. 58 26 32 57 25 32 271068.9270 0.0593 0.1000 215. 58 22 36 57 21 36 271107.0400 -0.0691 0.1000 216. 58 19 39 57 18 39 271131.3950 -0.0430 0.1000 217. 58 16 42 57 15 42 271153.4580 0.0371 0.1000 218. 58 13 45 57 12 45 271173.9230 0.0586 0.1000 219. 58 9 49 57 8 49 271199.7480 0.0753 0.1000 220. 61 58 3 60 57 3 287386.8020 -0.0077 0.0300 221. 61 57 4 60 56 4 286977.0320 -0.0279 0.0300 222. 61 55 6 60 54 6 286141.7600 0.0156 0.0300 223. 61 54 7 60 53 7 285708.4800 -0.0177 0.0300 224. 61 53 8 60 52 8 285249.8110 -0.0084 0.0300 225. 61 54 8 60 53 8 285709.8820 0.0119 0.0300 226. 61 53 9 60 52 9 285263.1640 -0.0061 0.0300 227. 61 31 30 60 30 30 285013.5030 0.0100 0.0300 228. 61 30 31 60 29 31 285026.9860 -0.0163 0.0300 229. 61 29 32 60 28 32 285039.6020 0.0197 0.0300 230. 61 28 33 60 27 33 285051.3720 0.0142 0.0300 231. 61 27 34 60 26 34 285062.4300 -0.0048 0.0300 232. 61 26 35 60 25 35 285072.9000 -0.0041 0.0300 233. 61 25 36 60 24 36 285082.8540 0.0108 0.0300 234. 61 24 37 60 23 37 285092.3140 -0.0054 0.0300 235. 61 23 38 60 22 38 285101.3840 -0.0068 0.0300 236. 61 22 39 60 21 39 285110.1140 0.0059 0.0300 237. 61 21 40 60 20 40 285118.5230 0.0075 0.0300 238. 61 20 41 60 19 41 285126.6330 -0.0188 0.0300 239. 61 19 42 60 18 42 285134.5310 -0.0204 0.0300 240. 61 18 43 60 17 43 285142.2930 0.0486 0.0300 241. 61 17 44 60 16 44 285149.7720 0.0144 0.0300 242. 61 16 45 60 15 45 285157.1110 -0.0038 0.0300 243. 61 15 46 60 14 46 285164.2920 -0.0453 0.0300 244. 61 14 47 60 13 47 285171.4380 -0.0061 0.0300 245. 61 13 48 60 12 48 285178.4490 -0.0031 0.0300 246. 61 12 49 60 11 49 285185.4150 0.0382 0.0300 247. 61 11 50 60 10 50 285192.2490 0.0172 0.0300 248. 61 7 54 60 6 54 285219.2160 0.0288 0.0300 249. 61 6 55 60 5 55 285225.8930 0.0342 0.0300 250. 61 4 57 60 3 57 285239.1700 -0.0081 0.0300 251. 61 2 59 60 1 59 285252.5220 0.0126 0.0300 252. 64 64 0 63 63 0 302767.7880 0.0025 0.0300 253. 64 61 3 63 60 3 301551.3620 -0.0180 0.0300 254. 64 60 4 63 59 4 301142.3650 -0.0154 0.0300 255. 65 65 0 64 64 0 307487.7870 -0.0009 0.0300 256. 65 64 1 64 63 1 307083.3170 0.0037 0.0300 257. 65 57 8 64 56 8 304163.7120 0.0107 0.0300 258. 65 57 9 64 56 9 304166.5680 0.0187 0.0300 259. 65 54 11 64 53 11 302312.1410 -0.0081 0.0300 260. 66 55 11 65 54 11 307100.9500 -0.0129 0.0300 261. 66 52 14 65 51 14 307073.1800 0.0166 0.0300 262. 66 52 15 65 51 15 307492.6180 -0.0043 0.0300 263. 67 46 21 66 45 21 312656.6660 -0.1086 0.1000 264. 67 45 22 66 44 22 312703.2120 0.0615 0.1000 265. 67 44 23 66 43 23 312743.3550 0.0232 0.1000 266. 67 43 24 66 42 24 312778.5390 0.0114 0.1000 267. 67 42 25 66 41 25 312809.6840 0.0328 0.1000 268. 67 40 27 66 39 27 312862.3490 -0.0047 0.1000 269. 67 39 28 66 38 28 312884.9730 0.0420 0.1000 270. 67 38 29 66 37 29 312905.4070 -0.0919 0.1000 271. 67 37 30 66 36 30 312924.2310 -0.1202 0.1000 272. 70 70 0 69 69 0 331077.9030 -0.0099 0.0300 273. 70 69 1 69 68 1 330673.6750 -0.0193 0.0300 274. 70 68 2 69 67 2 330268.8830 -0.0012 0.0300 275. 70 67 3 69 66 3 329862.9800 0.0303 0.0300 276. 70 66 4 69 65 4 329455.1760 0.0112 0.0300 277. 70 65 5 69 64 5 329044.5360 0.0190 0.0300 278. 71 59 12 70 58 12 330192.3370 0.0355 0.0300 279. 71 58 13 70 57 13 329522.4910 -0.0090 0.0300 280. 71 59 13 70 58 13 330738.8400 -0.0216 0.0300 281. 71 57 14 70 56 14 329664.3220 -0.0413 0.0300 282. 71 58 14 70 57 14 330536.1660 0.0135 0.0300 283. 71 56 15 70 55 15 330253.7640 0.0497 0.0300 284. 71 57 15 70 56 15 330551.1720 -0.0375 0.0300 285. 71 55 16 70 54 16 330624.7910 0.0028 0.0300 286. 71 56 16 70 55 16 330682.9710 0.0160 0.0300 287. 71 54 17 70 53 17 330819.0370 -0.0681 0.0300 288. 71 55 17 70 54 17 330827.4680 -0.0158 0.0300 289. 71 54 18 70 53 18 330948.7950 0.0446 0.0300 290. 71 52 19 70 51 19 331046.2180 0.0281 0.0300 291. 71 53 19 70 52 19 331046.2180 -0.0680 0.0300 292. 71 51 20 70 50 20 331125.9100 0.0311 0.0300 293. 71 50 21 70 49 21 331192.2170 -0.0244 0.0300 294. 71 49 22 70 48 22 331248.5800 0.0229 0.0300 295. 71 48 23 70 47 23 331297.0980 0.0473 0.0300 296. 71 47 24 70 46 24 331339.2630 -0.0517 0.0300 297. 71 46 25 70 45 25 331376.5100 -0.0201 0.0300 298. 71 45 26 70 44 26 331409.6140 0.0180 0.0300 299. 71 44 27 70 43 27 331439.2120 0.0001 0.0300 300. 71 43 28 70 42 28 331465.9240 -0.0075 0.0300 301. 71 42 29 70 41 29 331490.1750 -0.0249 0.0300 302. 71 41 30 70 40 30 331512.3910 0.0121 0.0300 303. 71 40 31 70 39 31 331532.7150 -0.0513 0.0300 304. 71 33 38 70 32 38 331641.8680 0.0004 0.0300 305. 71 31 40 70 30 40 331666.1130 0.0259 0.0300 306. 71 30 41 70 29 41 331677.4560 -0.0062 0.0300 307. 71 29 42 70 28 42 331688.4730 0.0499 0.0300 308. 71 28 43 70 27 43 331699.0150 -0.0033 0.0300 309. 71 25 46 70 24 46 331728.9870 -0.0271 0.0300 310. 71 24 47 70 23 47 331738.4490 -0.0805 0.0300 311. 71 23 48 70 22 48 331747.8510 0.0000 0.0300 312. 71 22 49 70 21 49 331756.9910 -0.0120 0.0300 313. 71 21 50 70 20 50 331765.9880 -0.0193 0.0300 314. 71 20 51 70 19 51 331774.8370 -0.0466 0.0300 315. 71 19 52 70 18 52 331783.6440 -0.0059 0.0300 316. 71 18 53 70 17 53 331792.3080 -0.0142 0.0300 317. 74 74 0 73 73 0 349937.5510 -0.0078 0.0300 318. 75 75 0 74 74 0 354650.6590 0.0003 0.0300 319. 75 72 3 74 71 3 353436.8320 0.0059 0.0300 320. 75 69 6 74 68 6 352207.7490 -0.0249 0.0300 321. 75 68 7 74 67 7 351789.9620 0.0044 0.0300 322. 75 68 8 74 67 8 351789.9620 0.0015 0.0300 323. 75 67 8 74 66 8 351364.7010 0.0066 0.0300 324. 75 67 9 74 66 9 351364.7010 -0.0359 0.0300 325. 75 64 11 74 63 11 349969.2100 -0.0032 0.0300 326. 75 63 12 74 62 12 349332.6300 -0.0213 0.0300 327. 75 57 18 74 56 18 349395.3860 0.0041 0.0300 328. 75 58 18 74 57 18 349401.0360 0.0190 0.0300 329. 75 50 25 74 49 25 349923.9310 0.0252 0.0300 330. 75 49 26 74 48 26 349963.0900 0.0101 0.0300 331. 75 28 47 74 27 47 350342.8460 -0.0101 0.0300 332. 75 27 48 74 26 48 350353.2590 0.0097 0.0300 333.? 75 25 50 74 24 50 350373.5190 0.0973 0.0300 >3*Err 334. 75 24 51 74 23 51 350383.2440 -0.0061 0.0300 335. 75 22 53 74 21 53 350402.4610 -0.0361 0.0300 336. 75 21 54 74 20 54 350411.9950 0.0429 0.0300 337. 75 6 69 74 5 69 350549.1020 -0.0075 0.0300 338. 75 5 70 74 4 70 350558.3120 -0.0050 0.0300 339. 76 63 13 75 62 13 353262.7500 0.0124 0.0300 340. 76 62 15 75 61 15 353683.1260 0.0122 0.0300 341. 77 77 0 76 76 0 364074.7600 0.1440 0.1000 342. 77 73 4 76 72 4 362454.6240 0.0728 0.1000 343. 77 72 5 76 71 5 362045.8070 0.1114 0.1000 344. 77 68 9 76 67 9 360360.4960 0.1471 0.1000 345. 77 68 10 76 67 10 360360.4960 -0.0752 0.1000 346. 78 65 13 77 64 13 362848.8940 -0.0033 0.1000 347. 78 66 13 77 65 13 363691.3650 0.1402 0.1000 348. 78 57 22 77 56 22 363646.0050 0.0350 0.1000 349. 78 51 27 77 50 27 363904.6200 0.0113 0.1000 350. 78 46 32 77 45 32 364052.0120 -0.1112 0.1000 351. 78 44 34 77 43 34 364095.7760 0.0067 0.1000 352. 86 86 0 85 85 0 406443.5270 0.0404 0.1000 353. 86 84 2 85 83 2 405636.4910 -0.0265 0.1000 354. 86 83 3 85 82 3 405232.0500 -0.0567 0.1000 355. 86 82 4 85 81 4 404826.5430 -0.0411 0.1000 356. 86 81 5 85 80 5 404419.5590 0.1185 0.1000 357. 87 74 14 86 73 14 405650.0110 -0.0468 0.1000 358. 87 71 17 86 70 17 404550.6290 0.0916 0.1000 359. 87 64 23 86 63 23 405275.3370 -0.0688 0.1000 360. 87 65 23 86 64 23 405275.3370 -0.0871 0.1000 361. 87 62 25 86 61 25 405434.0300 -0.0362 0.1000 362. 87 59 28 86 58 28 405603.8140 -0.0591 0.1000 363. 87 58 29 86 57 29 405648.6430 0.0549 0.1000 364. 87 43 44 86 42 44 406023.8390 0.1136 0.1000 365. 87 23 64 86 22 64 406278.8340 0.0605 0.1000 366. 87 12 75 86 11 75 406403.5230 -0.1551 0.1000 367. 101 92 9 100 91 9 473244.2450 -0.0195 0.1500 368. 101 88 13 100 87 13 471521.8300 -0.0123 0.1500 369. 101 35 66 100 34 66 471206.8450 0.0991 0.1500 370. 101 23 78 100 22 78 471376.6650 -0.0227 0.1500 371. 101 22 79 100 21 79 471390.8410 -0.0786 0.1500 372. 101 12 89 100 11 89 471536.5210 0.0928 0.1500 373. 101 11 90 100 10 90 471551.4290 0.0381 0.1500 ------------------------------------------------------------------------------------------------------ Sigma = 0.041088 373 Distinct lines in fit Sigma.w = 0.806808 361 Degrees of freedom A /MHz 2370.35839(14) LJK /mHz 0.0 B /MHz 2310.90550(13) LKKJ/mHz 0.0 C /MHz 1679.2034(44) LK /mHz 0.0 DJ /kHz 0.411291(21) l1 /mHz 0.0 DJK /kHz -0.360113(72) l2 /mHz 0.0 DK /kHz 0.127(18) l3 /mHz 0.0 d1 /kHz -0.0038990(58) l4 /mHz 0.0 d2 /kHz 0.0013956(81) PJ /microHz 0.0 HJ / Hz 0.0001216(18) PJJK /microHz 0.0 HJK / Hz -0.0003687(63) PJK /microHz 0.0 HKJ / Hz 0.000480(11) PKJ /microHz 0.0 HK / Hz 0.0 PKKJ /microHz 0.0 h1 / Hz 0.0 PK /microHz 0.0 h2 / Hz 0.0 p1 /microHz 0.0 h3 / Hz -0.00001533(85) p2 /microHz 0.0 LJ /mHz 0.0 p3 /microHz 0.0 LJJK/mHz 0.0 p4 /microHz 0.0 p5 /microHz 0.0 CORRELATION COEFFICIENTS, C.ij: A B C DJ DJK DK d1 d2 A 1.0000 B -0.6191 1.0000 C -0.6865 0.6997 1.0000 DJ 0.5926 0.1065 -0.2554 1.0000 DJK -0.4458 0.2631 0.4511 -0.6713 1.0000 DK -0.3859 0.3521 0.6465 -0.4366 0.7273 1.0000 d1 -0.7158 0.6875 0.2785 -0.1726 0.1663 0.0197 1.0000 d2 0.1302 -0.0596 -0.1064 0.4191 -0.6369 -0.7780 -0.0136 1.0000 HJ 0.4452 0.2071 0.0221 0.8604 -0.4287 0.0170 -0.2380 0.0691 HJK -0.2128 0.0675 0.0390 -0.3324 0.4795 -0.0307 0.2625 0.0153 HKJ 0.0589 -0.1093 -0.1063 -0.0415 -0.0585 -0.0233 -0.1300 -0.0592 h3 -0.1726 0.1368 0.2694 -0.3872 0.6355 0.8201 -0.0507 -0.8203 HJ HJK HKJ h3 HJ 1.0000 HJK -0.5210 1.0000 HKJ 0.0470 -0.6925 1.0000 h3 -0.0243 -0.0140 0.0165 1.0000 Mean value of |C.ij|, i.ne.j = 0.3098 Mean value of C.ij, i.ne.j = -0.0065 Distribution of values of |C.ij|, i.ne.j: 10 20 30 40 50 60 ....,....|....,....|....,....|....,....|....,....|....,....|....,.. 13 <0.05 ************* 7 <0.10 ******* 7 <0.15 ******* 3 <0.20 *** 3 <0.25 *** 5 <0.30 ***** 1 <0.35 * 3 <0.40 *** 5 <0.45 ***** 2 <0.50 ** 1 <0.55 * 1 <0.60 * 4 <0.65 **** 5 <0.70 ***** 2 <0.75 ** 1 <0.80 * 2 <0.85 ** 1 <0.90 * 0 <0.95 0 <1.00 _______________________________________________________________________________ There are no influential transitions with hjj > 0.500 mean of all values = 0.0322 WORST FITTING LINES (line number=(o-c)/error): 333= 3.2 53= 2.8 310= -2.7 115= 2.6 164= 2.6 165= -2.3 26= -2.3 _______________________________________________________________________________