ASFIT version 1.XII.2010 _______________________________________________________________________________ 1,1-dichloroethylene _______________________________________________________________________________ Fit of Watson's Hamiltonian --> reduction-A, representation-I.r : A = 7467.0836761928057967452 +- 0.0005231951099361682 B = 3411.5610580022544127132 +- 0.0002893590822502595 C = 2339.0829973981603870925 +- 0.0002269611843231307 DJ = 0.0009016674971670534 +- 0.0000000762528140966 DJK = -0.0012382697649455838 +- 0.0000002220998100178 DK = 0.0083177141263206349 +- 0.0000003846305258945 dJ = 0.0003291620095253328 +- 0.0000000288060799603 dK = 0.0018153387900081291 +- 0.0000003541380225599 HJ = 0.0000000005998243870 +- 0.0000000000085443792 HJK = 0.0000000046254571508 +- 0.0000000000822002356 HKJ = -0.0000000323456880923 +- 0.0000000003116644731 HK = 0.0000000535105347242 +- 0.0000000002554992706 hJ = 0.0000000003029105791 +- 0.0000000000039914960 hJK = 0.0000000029752029919 +- 0.0000000000681649264 hK = 0.0000000274339802570 +- 0.0000000004573437494 Deviation of fit = 0.068591 Weighted deviation of fit = 0.750924 ------------------------------------------------------------------------------------------------------ TRANSITION Observed Obs-Calc Error Note Blend components ------------------------------------------------------------------------------------------------------ ! ! literature R-types ! 1. 7 1 6 6 2 5 35845.3000 -0.0342 0.0500 2. 7 3 5 6 2 4 57580.8300 -0.0184 0.0500 3. 7 2 5 6 3 4 26970.6900 -0.0213 0.0500 4. 11 0 11 10 1 10 53798.2100 -0.0015 0.0500 5. 12 4 9 11 5 6 28570.8600 -0.0226 0.0500 6. 12 6 7 11 7 4 12585.1500 0.0495 0.0500 7. 13 5 8 12 6 7 33181.0100 -0.0074 0.0500 8. 16 7 10 15 8 7 28902.5800 -0.0001 0.0500 9. 19 10 9 18 11 8 17806.3500 -0.0221 0.0500 10. 19 10 10 18 11 7 17803.6600 -0.0414 0.0500 11. 23 13 10 22 14 9 13651.4400 -0.0190 0.0500 12. 29 17 13 28 18 10 12510.5500 0.0481 0.0500 13. 30 16 14 29 17 13 28833.7000 -0.0085 0.0500 14. 36 20 16 35 21 15 27599.1000 -0.0261 0.0500 15. 36 21 15 35 22 14 17745.8500 -0.0532 0.0500 16. 37 20 17 36 21 16 34044.6600 -0.0062 0.0500 17. 37 22 16 36 23 13 14313.0000 0.0094 0.0500 18. 39 9 30 38 12 27 27383.8100 -0.0017 0.0500 19. 39 21 18 38 22 17 36968.5400 -0.0925 0.0500 20. 39 22 18 38 23 15 27017.9100 -0.0031 0.0500 21. 41 23 18 40 24 17 29930.5600 0.0106 0.0500 22. 42 23 19 41 24 18 36353.9000 -0.0086 0.0500 23. 44 25 20 43 26 17 29365.7700 0.0177 0.0500 ! ! literature Q-types ! 24. 7 2 5 7 1 6 16896.8100 -0.0043 0.0500 25. 8 2 7 8 1 8 33788.2100 -0.0122 0.0500 26. 9 2 7 9 1 8 26587.7500 -0.0373 0.0500 27. 10 2 8 10 1 9 32348.7800 -0.0108 0.0500 28. 7 3 4 7 2 5 17308.9900 0.0114 0.0500 29. 8 3 5 8 2 6 17321.6100 -0.0291 0.0500 30. 9 3 7 9 2 8 33411.5800 -0.0485 0.0500 31. 10 3 8 10 2 9 37041.7800 -0.0179 0.0500 32. 12 3 9 12 2 10 31231.3600 0.0101 0.0500 33. 13 3 10 13 2 11 37314.7800 -0.0393 0.0500 34. 8 4 5 8 3 6 32766.0700 -0.0003 0.0500 35. 10 4 7 10 3 8 35514.6700 -0.0100 0.0500 36. 14 4 10 14 3 11 29953.7400 -0.0123 0.0500 37. 17 4 14 17 3 15 61362.9100 -0.0435 0.0500 38. 11 5 6 11 4 7 34339.5400 -0.0331 0.0500 39. 13 5 8 13 4 9 29402.4300 0.0068 0.0500 40. 14 5 9 14 4 10 28059.0400 0.0001 0.0500 41. 15 5 10 15 4 11 28200.3300 0.0147 0.0500 42. 16 5 11 16 4 12 30128.7800 0.0348 0.0500 43. 17 5 12 17 4 13 33902.1400 0.0488 0.0500 44. 21 5 16 21 4 17 59621.3200 0.0155 0.0500 45. 15 6 9 15 5 10 38574.9300 -0.0065 0.0500 46. 16 6 10 16 5 11 35654.8900 0.0059 0.0500 47. 17 6 11 17 5 12 33611.4800 0.0434 0.0500 48. 19 6 13 19 5 14 34385.4600 0.0324 0.0500 49. 18 6 13 18 5 14 54403.5000 -0.0163 0.0500 50. 20 6 14 20 5 15 37725.1600 0.0121 0.0500 51. 19 6 14 19 5 15 57436.1400 0.0149 0.0500 52. 19 7 13 19 6 14 57383.1200 0.0053 0.0500 53. 21 7 14 21 6 15 38058.6100 0.0355 0.0500 54. 22 7 15 22 6 16 38704.0100 0.0673 0.0500 55. 26 7 19 26 6 20 60306.7300 0.0250 0.0500 56. 18 8 10 18 7 11 62151.9900 -0.0280 0.0500 57. 28 8 20 28 7 21 56025.1800 -0.0671 0.0500 58. 24 9 15 24 8 16 59924.1100 -0.0200 0.0500 59. 25 9 16 25 8 17 55511.4300 -0.0887 0.0500 60. 31 9 22 31 8 23 59042.9800 0.0236 0.0500 61. 28 10 18 28 9 19 62499.8400 -0.0349 0.0500 62. 29 10 19 29 9 20 57902.6700 0.0464 0.0500 63. 30 10 20 30 9 21 54334.5900 -0.0266 0.0500 64. 32 10 22 32 9 23 53209.3400 -0.0090 0.0500 65. 34 10 24 34 9 25 61966.5000 0.0237 0.0500 66. 33 11 22 33 10 23 60268.8900 -0.0255 0.0500 67. 35 11 24 35 10 25 57422.6200 0.0418 0.0500 68. 36 11 25 36 10 26 59838.8900 -0.0360 0.0500 69. 37 11 26 37 10 27 64856.7100 -0.0343 0.0500 70. 36 12 24 36 11 25 66477.9900 0.0339 0.0500 71. 37 12 25 37 11 26 63033.3700 -0.0459 0.0500 72. 40 13 27 40 12 28 68693.1000 -0.0100 0.0500 73. 20 16 4 21 15 7 18054.8600 -0.0678 0.0500 74. 26 21 6 27 20 7 28529.6000 -0.0144 0.0500 75. 40 30 11 41 29 12 27694.1900 0.0131 0.0500 76. 44 33 11 45 32 14 31425.2800 -0.0143 0.0500 ! ! IFPAN MMW R-types ! 77. 18 17 2 17 16 1 254987.2800 -0.0495 0.1000 78. 19 17 3 18 16 2 260796.8560 0.0223 0.1000 79. 20 16 4 19 15 5 257496.9550 0.0380 0.1000 80. 22 15 8 21 14 7 259945.7800 -0.0849 0.1000 81. 22 19 4 21 18 3 296413.3380 0.0362 0.1000 82. 24 23 2 23 22 1 344370.7960 -0.0781 0.1000 83. 26 22 4 25 21 5 346904.6400 0.0071 0.1000 84. 27 16 12 26 15 11 297882.8400 -0.0607 0.1000 85. 27 21 6 26 20 7 343613.3950 0.1012 0.1000 86. 27 27 0 26 26 1 398067.8750 0.0603 0.1000 87. 29 20 9 28 19 10 346074.8750 0.0970 0.1000 88. 29 28 2 28 27 1 418740.6700 -0.0617 0.1000 89. 30 14 17 29 13 16 295948.6650 0.0247 0.1000 90. 30 14 16 29 13 17 295961.0510 -0.0007 0.1000 91. 30 26 5 29 25 4 406426.5700 -0.0706 0.1000 92. 31 11 21 30 10 20 259649.6600 0.0588 0.1000 93. 32 18 15 31 17 14 344927.2880 0.1011 0.1000 94. 34 17 18 33 16 17 346867.6440 -0.0394 0.1000 95. 35 27 9 34 26 8 444489.4310 0.0010 0.1000 96. 37 15 22 36 14 23 343484.5400 -0.0120 0.1000 97. 38 21 18 37 20 17 406880.2280 -0.1213 0.1000 98. 39 13 26 38 12 27 346893.3200 0.0100 0.1000 99. 39 14 25 38 13 26 345450.2750 0.0732 0.1000 100. 39 26 14 38 25 13 458515.2400 0.1145 0.1000 101. 42 17 25 41 16 26 390180.8380 0.0256 0.1000 102. 42 17 26 41 16 25 390042.5280 -0.0396 0.1000 103. 42 18 25 41 17 24 400381.5450 0.0376 0.1000 104. 42 18 24 41 17 25 400394.5190 0.0087 0.1000 105. 43 22 22 42 21 21 444472.8250 0.0093 0.1000 106. 44 17 27 43 16 28 400459.5820 0.0243 0.1000 107. 45 10 36 44 9 35 255934.6180 -0.0415 0.1000 108. 45 9 36 44 10 35 255874.8870 0.0285 0.1000 109. 45 21 25 44 20 24 446112.9700 0.0267 0.1000 110. 46 9 38 45 8 37 255457.2500 -0.1283 0.1000 111. 46 8 38 45 9 37 255454.9740 -0.0207 0.1000 112. 46 16 31 45 15 30 390307.7090 0.1471 0.1000 113. 47 8 40 46 7 39 255196.0900 -0.1172 0.1000 114. 47 7 40 46 8 39 255196.0900 -0.0467 0.1000 115. 48 8 41 47 7 40 259844.8320 0.0538 0.1000 116. 48 6 42 47 7 41 255040.8400 -0.0366 0.1000 117. 48 15 34 47 14 33 346023.0230 0.0431 0.1000 118. 49 5 44 48 6 43 254947.3050 0.0403 0.1000 119. 49 7 43 48 6 42 259699.5660 -0.0143 0.1000 120. 50 6 45 49 5 44 259611.3380 0.0218 0.1000 121. 50 4 46 49 5 45 254890.9000 0.0545 0.1000 122. 50 13 38 49 12 37 295935.6700 0.0025 0.1000 123. 50 16 34 49 15 35 446283.3940 0.1139 0.1000 124. 51 5 47 50 4 46 259557.6900 -0.0207 0.1000 125. 51 3 48 50 4 47 254856.7300 -0.0099 0.1000 126. 52 2 50 51 3 49 254835.3800 -0.1067 0.1000 127. 52 4 49 51 3 48 259525.1120 0.0769 0.1000 128. 52 12 41 51 11 40 298381.5870 -0.0077 0.1000 129. 52 11 41 51 12 40 298312.4920 0.0056 0.1000 130. 53 3 51 52 2 50 259504.4630 0.0060 0.1000 131. 53 1 52 52 2 51 254820.9550 0.0846 0.1000 132. 53 11 43 52 10 42 297780.6450 -0.0052 0.1000 133. 53 10 43 52 11 42 297777.5590 0.0312 0.1000 134. 54 0 54 53 1 53 254808.7700 0.0624 0.1000 135. 54 2 53 53 1 52 259490.1300 0.0138 0.1000 136. 55 0 55 54 1 54 259478.0220 -0.0122 0.1000 137. 55 8 47 54 9 46 297211.6530 0.0285 0.1000 138. 57 6 51 56 7 50 296979.9870 -0.0512 0.1000 139. 58 15 43 57 16 42 344466.6350 0.0949 0.1000 140. 59 5 55 58 4 54 296884.9030 -0.0046 0.1000 141. 59 15 45 58 14 44 346690.4270 0.0353 0.1000 142. 59 14 45 58 15 44 346035.3720 0.1807 0.1000 143. 60 14 47 59 13 46 345349.6730 -0.1437 0.1000 144. 60 13 47 59 14 46 345309.1600 -0.0857 0.1000 145. 61 3 59 60 2 58 296844.6020 0.0216 0.1000 146. 61 13 49 60 12 48 344701.6390 0.0461 0.1000 147. 61 12 49 60 13 48 344699.6340 -0.0260 0.1000 148. 61 18 44 60 17 43 397227.7000 0.0632 0.1000 149. 62 12 51 61 11 50 344294.3950 -0.0695 0.1000 150. 63 0 63 62 1 62 296820.5610 0.0675 0.1000 151. 63 11 53 62 10 52 344024.2520 -0.0112 0.1000 152. 64 10 55 63 9 54 343842.0910 0.0351 0.1000 153. 65 9 57 64 8 56 343718.6300 -0.0242 0.1000 154. 66 8 59 65 7 58 343635.2700 -0.0084 0.1000 155. 66 18 49 65 17 48 397421.9160 -0.0027 0.1000 156. 67 7 61 66 6 60 343579.2100 -0.0860 0.1000 157. 68 6 63 67 5 62 343541.9240 -0.0014 0.1000 158. 69 5 65 68 4 64 343516.9310 0.0288 0.1000 159. 70 4 67 69 3 66 343499.5950 -0.0698 0.1000 160. 71 3 69 70 2 68 343486.8310 -0.0030 0.1000 161. 72 2 71 71 1 70 343475.9090 0.0382 0.1000 162. 72 14 59 71 13 58 400340.6260 0.0622 0.1000 163. 73 1 73 72 0 72 343464.8260 -0.0170 0.1000 164. 73 13 61 72 12 60 400057.7660 0.0629 0.1000 165. 74 10 65 73 9 64 390319.1850 -0.0182 0.1000 166. 75 9 67 74 8 66 390242.3040 -0.0134 0.1000 167. 76 8 69 75 7 68 390188.9450 -0.0424 0.1000 168. 77 7 71 76 6 70 390152.2920 -0.0303 0.1000 169. 78 6 73 77 5 72 390127.1780 -0.0222 0.1000 170. 79 5 75 78 4 74 390109.7580 0.0088 0.1000 171. 80 4 77 79 3 76 390096.8990 -0.1007 0.1000 172. 81 3 79 80 2 78 390086.5420 -0.1035 0.1000 173. 82 2 81 81 1 80 390076.8010 -0.0742 0.1000 174. 83 1 83 82 0 82 390066.2810 0.0294 0.1000 175. 83 13 71 82 12 70 446366.7280 -0.0897 0.1000 176. 84 12 73 83 11 72 446242.0310 0.1187 0.1000 177. 85 11 75 84 10 74 446151.4290 0.0129 0.1000 178. 86 10 77 85 9 76 446086.4310 -0.0201 0.1000 179. 87 9 79 86 8 78 446040.4060 0.0390 0.1000 180. 88 8 81 87 7 80 446008.1610 0.0701 0.1000 181. 89 7 83 88 6 82 445985.7550 0.0613 0.1000 182. 91 5 87 90 4 86 445958.7780 -0.0543 0.1000 183. 92 4 89 91 3 88 445950.0520 0.1009 0.1000 184. 93 3 91 92 2 90 445941.8330 -0.0195 0.1000 185. 94 2 93 93 1 92 445933.1680 -0.0638 0.1000 186. 95 1 95 94 0 94 445923.0290 0.0174 0.1000 ! ! IFPAN MMW Q-types ! 187. 62 2 60 62 1 61 280177.4570 0.0355 0.1000 188. 60 3 57 60 2 58 264308.1380 -0.0674 0.1000 189. 65 3 62 65 2 63 287710.0490 0.0582 0.1000 190. 60 4 56 60 3 57 257675.2910 -0.0461 0.1000 191. 79 4 75 79 3 76 346569.1780 -0.1095 0.1000 192. 80 5 75 80 4 76 344581.3310 -0.1069 0.1000 193. 63 6 57 63 5 58 258097.5750 0.1160 0.1000 194. 70 6 64 70 5 65 290984.4260 0.0351 0.1000 195. 71 7 64 71 6 65 288726.8410 0.1018 0.1000 196. 83 7 76 83 6 77 345004.8360 0.0647 0.1000 197. 66 8 58 66 7 59 257997.5370 0.0075 0.1000 198. 80 8 72 80 7 73 323970.8340 0.1585 0.1000 199. 86 9 77 86 8 78 345044.6560 -0.0001 0.1000 200. 69 10 59 69 9 60 257315.8370 0.0119 0.1000 201. 71 11 60 71 10 61 259136.4070 0.0385 0.1000 202. 76 11 65 76 10 66 283064.5160 -0.2002 0.1000 203. 84 11 73 84 10 74 321060.9340 0.0767 0.1000 204. 89 11 78 89 10 79 344670.8130 -0.1798 0.1000 205. 91 12 79 91 11 80 346680.9660 0.0330 0.1000 206. 74 13 61 74 12 62 257470.0000 0.0470 0.1000 207. 77 14 63 77 13 64 263711.9510 -0.1926 0.1000 208. 87 17 70 87 16 71 286843.5540 0.0801 0.1000 209. 39 29 10 39 28 11 258073.7890 0.0267 0.1000 210. 43 29 14 43 28 15 257302.6850 -0.1501 0.1000 211. 44 29 15 44 28 16 257071.8670 -0.1779 0.1000 212. 45 29 16 45 28 17 256824.3500 -0.0274 0.1000 213. 46 29 17 46 28 18 256558.9960 0.0526 0.1000 214. 47 29 18 47 28 19 256274.7640 -0.0501 0.1000 215. 48 29 19 48 28 20 255971.0070 -0.0119 0.1000 216. 49 29 20 49 28 21 255646.5100 -0.0314 0.1000 217. 51 29 22 51 28 23 254931.3310 0.1046 0.1000 218. 52 29 23 52 28 24 254538.0770 -0.0189 0.1000 219. 40 30 10 40 29 11 267143.9910 0.0203 0.1000 220. 52 30 22 52 29 23 264134.3090 -0.1038 0.1000 221. 54 30 24 54 29 25 263364.6310 -0.0667 0.1000 222. 62 30 32 62 29 33 259196.2290 -0.0261 0.1000 223. 64 30 34 64 29 35 257821.5760 0.0046 0.1000 224. 66 30 36 66 29 37 256283.8900 -0.0364 0.1000 225. 67 30 37 67 29 38 255448.0520 -0.1171 0.1000 226. 66 31 35 66 30 36 266664.3570 -0.0631 0.1000 227. 69 31 38 69 30 39 264326.7500 -0.0006 0.1000 228. 70 31 39 70 30 40 263459.4790 0.0539 0.1000 229. 75 31 44 75 30 45 258337.6870 -0.0999 0.1000 230. 51 32 19 51 31 20 283389.0470 0.0365 0.1000 231. 80 32 48 80 31 49 263632.2340 -0.1099 0.1000 232. 57 33 24 57 32 25 290968.1170 -0.0815 0.1000 233. 72 33 39 72 32 40 282857.1430 -0.0942 0.1000 234. 88 33 55 88 32 56 263490.9640 0.1170 0.1000 235. 65 34 31 65 33 32 297264.6350 0.0382 0.1000 236. 76 34 42 76 33 43 290092.6900 0.2241 0.1000 237. 93 35 59 93 34 60 280556.6940 -0.0736 0.1000 238. 48 36 12 48 35 13 321129.2450 0.1082 0.1000 239. 54 39 15 54 38 16 347718.7220 0.0049 0.1000 240. 60 39 21 60 38 22 346494.4840 -0.0980 0.1000 241. 61 39 22 61 38 23 346249.7400 0.1420 0.1000 242. 62 39 23 62 38 24 345991.7410 0.0583 0.1000 243. 63 39 24 63 38 25 345720.2280 -0.1149 0.2000 244. 65 39 26 65 38 27 345135.5210 0.1845 0.1000 245. 66 39 27 66 38 28 344820.5760 -0.0245 0.1000 246. 67 39 28 67 38 29 344490.1840 -0.1150 0.1000 247. 70 39 31 70 38 32 343400.1880 0.1131 0.1000 248. 83 40 43 83 39 44 346649.8110 0.0557 0.1000 249. 84 40 44 84 39 45 346006.6170 -0.0454 0.1000 250. 86 40 46 86 39 47 344637.1280 -0.0873 0.1000 251. 93 41 52 93 40 53 349525.1710 0.1192 0.1000 252. 94 41 53 94 40 54 348643.2270 -0.0388 0.1000 253. 61 45 16 61 44 17 401540.9030 -0.0860 0.1000 254. 62 45 17 62 44 18 401380.1160 0.0126 0.1000 255. 78 45 33 78 44 34 397460.9760 -0.0330 0.1000 256. 79 45 34 79 44 35 397113.9630 0.0113 0.1000 257. 66 50 16 66 49 17 446296.8740 0.0863 0.1000 258. 69 50 19 69 49 20 445842.1620 0.1090 0.1000 259. 70 50 20 70 49 21 445675.8340 -0.1944 0.1000 ------------------------------------------------------------------------------------------------------ Sigma = 0.068591 259 Distinct lines in fit Sigma.w = 0.750924 244 Degrees of freedom A /MHz 7467.08367(52) LJK /mHz 0.0 B /MHz 3411.56105(28) LKKJ/mHz 0.0 C /MHz 2339.08299(22) LK /mHz 0.0 DJ /kHz 0.901667(76) lJ /mHz 0.0 DJK /kHz -1.23826(22) lJK /mHz 0.0 DK /kHz 8.31771(38) lKJ /mHz 0.0 dJ /kHz 0.329162(28) lK /mHz 0.0 dK /kHz 1.81533(35) PJ /microHz 0.0 HJ / Hz 0.0005998(85) PJJK /microHz 0.0 HJK / Hz 0.004625(82) PJK /microHz 0.0 HKJ / Hz -0.03234(31) PKJ /microHz 0.0 HK / Hz 0.05351(25) PKKJ /microHz 0.0 hJ / Hz 0.0003029(39) PK /microHz 0.0 hJK / Hz 0.002975(68) pJ /microHz 0.0 hK / Hz 0.02743(45) 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 0.7666 1.0000 C 0.6026 0.7159 1.0000 DJ 0.5892 0.8865 0.6361 1.0000 DJK 0.4684 0.2451 0.4181 0.0279 1.0000 DK 0.4260 0.1446 -0.1348 0.1768 -0.3721 1.0000 dJ 0.3520 0.6264 0.0127 0.7117 -0.1844 0.3160 1.0000 dK 0.0982 0.2996 -0.0689 0.4554 -0.1451 0.0429 0.5890 1.0000 HJ 0.3822 0.6654 0.3454 0.8776 -0.1518 0.2071 0.7879 0.6265 HJK 0.0373 0.0766 0.1052 0.1981 0.0489 -0.1077 0.1266 0.2467 HKJ 0.1088 -0.0011 0.0173 -0.1737 0.2297 0.0377 -0.1688 -0.2769 HK 0.0347 0.0389 -0.0550 0.2021 -0.3014 0.2784 0.2399 0.2434 hJ 0.2472 0.4978 0.0388 0.6764 -0.2221 0.2457 0.8869 0.6223 hJK 0.0370 0.2188 -0.1017 0.4095 -0.2392 0.0729 0.5640 0.8776 hK -0.0226 0.0511 0.0096 0.2228 -0.1910 0.0393 0.2095 0.3426 HJ HJK HKJ HK hJ hJK hK HJ 1.0000 HJK 0.4524 1.0000 HKJ -0.4729 -0.9530 1.0000 HK 0.4823 0.8615 -0.9334 1.0000 hJ 0.9082 0.4826 -0.5220 0.5400 1.0000 hJK 0.7204 0.5294 -0.5945 0.5665 0.7513 1.0000 hK 0.5342 0.9320 -0.9352 0.8518 0.5799 0.6073 1.0000 Mean value of |C.ij|, i.ne.j = 0.3730 Mean value of C.ij, i.ne.j = 0.2334 Distribution of values of |C.ij|, i.ne.j: 10 20 30 40 50 60 ....,....|....,....|....,....|....,....|....,....|....,....|....,.. 15 <0.05 *************** 6 <0.10 ****** 8 <0.15 ******** 7 <0.20 ******* 14 <0.25 ************** 3 <0.30 *** 4 <0.35 **** 3 <0.40 *** 3 <0.45 *** 7 <0.50 ******* 4 <0.55 **** 6 <0.60 ****** 6 <0.65 ****** 2 <0.70 ** 3 <0.75 *** 3 <0.80 *** 0 <0.85 6 <0.90 ****** 4 <0.95 **** 1 <1.00 * _______________________________________________________________________________ MOST INFLUENTIAL TRANSITIONS: Observed Obs-Calc hjj >0.500 208. 87 17 70 87 16 71 286843.5540 0.0801 0.7422 mean of all values = 0.0579 WORST FITTING LINES (line number=(o-c)/error): 236= 2.2 202= -2.0 259= -1.9 207= -1.9 19= -1.8 244= 1.8 142= 1.8 _______________________________________________________________________________