program ERHAM V16g 12 jun 2006 *** date and time: 4 oct 2009 21:37:51 -------------------------------------------------------------------------------- pyruvonitrile, first excited state of the torsion (A+E) -------------------------------------------------------------------------------- * CYCLE 6 * J' Ka' Kc' J" Ka" Kc" obs obs-calc error qq' N Scappini,Mader,Dreizler, Z.Nat. 31a,1398(1976) 1. 2 0 2 1 0 1 14138.1000 0.0279 0.1000 00 1 2. 2 1 2 1 0 1 19177.1800 -0.0684 0.1000 00 3. 2 0 2 1 1 1 8104.8800 -0.0071 0.1000 00 2 4. 2 1 1 2 0 2 8462.1000 -0.1135 0.1000 00 1 5. 3 2 2 2 2 1 21427.3900 -0.0444 0.1000 00 4 6. 3 1 3 2 1 2 19629.3700 -0.0570 0.1000 00 2 7. 3 0 3 2 0 2 20855.0200 0.0178 0.1000 00 1 8. 3 1 3 2 0 2 24668.6300 0.0267 0.1000 00 9. 3 0 3 2 1 2 15815.7800 -0.0459 0.1000 00 2 10. 3 1 2 3 0 3 10647.7600 0.0335 0.1000 00 1 11. 3 3 0 3 2 1 32397.1100 -0.1038 0.1000 00 5 12. 3 3 1 3 2 2 33104.7400 -0.2194 0.1000 00 4 13.E 4 3 2 3 3 1 28830.2400 -0.8561 0.0000--excl 6 14. 4 1 4 3 1 3 26026.4800 -0.0259 0.1000 00 2 15. 4 0 4 3 0 3 27226.5100 0.0009 0.1000 00 1 16. 4 1 4 3 0 3 29840.0900 -0.0170 0.1000 00 17. 4 0 4 3 1 3 23412.9200 0.0120 0.1000 00 2 18. 4 3 1 4 2 2 31501.4000 0.0669 0.1000 00 5 19. 4 3 2 4 2 3 33480.9700 -0.0207 0.1000 00 4 20. 5 1 5 4 1 4 32328.8600 -0.0345 0.1000 00 2 21. 5 0 5 4 0 4 33303.8900 -0.0221 0.1000 00 1 22. 5 1 5 4 0 4 34942.4400 -0.0523 0.1000 00 23. 5 0 5 4 1 4 30690.2900 -0.0242 0.1000 00 2 IFPAN MMW, A-state, aR-types 24. 26 0 26 25 0 25 158880.2440 -0.0819 0.0500 00 1 25. 30 0 30 29 0 29 182874.5607 -0.0473 0.0500 00 26. 31 0 31 30 0 30 188872.6790 -0.0123 0.0500 00 27. 32 0 32 31 0 31 194870.5520 -0.0118 0.0500 00 5.0E-01 28. 32 0 32 31 0 31 194870.5520 -0.0118 0.0500 00 -5.0E-01 -0.0012 29. 35 0 35 34 0 34 212862.8703 0.0296 0.0500 00 30. 37 0 37 36 0 36 224856.5564 0.0546 0.0500 00 31. 46 0 46 45 0 45 278814.7425 0.1732 0.0500 00 32. 49 0 49 48 0 48 296795.3384 0.1959 0.0500 00 33. 52 0 52 51 0 51 314772.8594 0.1701 0.0500 00 34. 53 0 53 52 0 52 320764.7038 0.2022 0.0500 00 35. 25 1 24 24 1 23 158613.5558 -0.0928 0.0500 00 3 5.0E-01 36. 25 2 24 24 2 23 158613.5558 -0.0068 0.0500 00 4 -5.0E-01 -0.0050 37. 29 1 28 28 1 27 182602.7054 -0.0194 0.0500 00 3 5.0E-01 38. 29 2 28 28 2 27 182602.7054 -0.0149 0.0500 00 4 -5.0E-01 -0.0017 39. 30 2 29 29 1 28 188599.7755 -0.0277 0.0500 00 3 5.0E-01 40. 30 2 29 29 2 28 188599.7755 -0.0237 0.0500 00 4 -5.0E-01 -0.0026 41. 31 1 30 30 1 29 194596.7533 0.0073 0.0500 00 3 5.0E-01 42. 31 2 30 30 2 29 194596.7533 0.0083 0.0500 00 4 -5.0E-01 0.0008 43. 34 1 33 33 1 32 212586.6359 0.0382 0.0500 00 3 5.0E-01 44. 34 1 33 33 1 32 212586.6359 0.0382 0.0500 00 -5.0E-01 0.0038 45. 36 1 35 35 1 34 224578.8379 -0.0192 0.0500 00 46. 45 1 44 44 1 43 278531.7323 0.0647 0.0500 00 47. 48 1 47 47 1 46 296510.6412 -0.0184 0.0500 00 48. 51 1 50 50 1 49 314486.5622 -0.0846 0.0500 00 49. 52 1 51 51 1 50 320477.8119 -0.1280 0.0500 00 50. 24 2 22 23 2 21 158402.8812 -0.0457 0.0500 00 5 51. 25 2 23 24 2 22 164391.4688 -0.0846 0.0500 00 52. 29 2 27 28 2 26 188358.6786 -0.1084 0.0500 00 5.0E-01 53. 29 3 27 28 3 26 188358.6786 0.0748 0.0500 00 6 -5.0E-01 -0.0017 54. 30 2 28 29 2 27 194352.0490 -0.0680 0.0500 00 5 5.0E-01 55. 30 3 28 29 3 27 194352.0490 0.0225 0.0500 00 6 -5.0E-01 -0.0023 56. 33 2 31 32 2 30 212333.3811 -0.0081 0.0500 00 5 5.0E-01 57. 33 3 31 32 3 30 212333.3811 0.0025 0.0500 00 6 -5.0E-01 -0.0003 58. 35 2 33 34 2 32 224321.2113 -0.0371 0.0500 00 5 5.0E-01 59. 35 3 33 34 3 32 224321.2113 -0.0346 0.0500 00 6 -5.0E-01 -0.0036 60. 44 2 42 43 2 41 278260.9403 -0.0237 0.0500 00 5 61. 47 2 45 46 2 44 296236.8615 -0.0416 0.0500 00 62. 50 2 48 49 2 47 314210.0308 -0.1419 0.0500 00 63. 51 2 49 50 2 48 320200.4343 -0.1815 0.0500 00 64. 24 3 22 23 3 21 158397.3601 0.0041 0.0500 00 6 65. 25 3 23 24 3 22 164388.6220 -0.0701 0.0500 00 66. 23 3 20 22 3 19 158442.0634 -0.0152 0.0500 00 7 67. 24 3 21 23 3 20 164361.2186 -0.0129 0.0500 00 68. 28 3 25 27 3 24 188205.1831 0.0085 0.0500 00 69. 29 3 26 28 3 25 194184.0569 -0.0110 0.0500 00 70. 34 3 31 33 3 30 224109.7214 -0.0810 0.0500 00 5.0E-01 71. 34 4 31 33 4 30 224109.7214 0.0764 0.0500 00 8 -5.0E-01 -0.0002 72. 43 4 40 42 3 39 278014.6854 -0.0667 0.0500 00 7 73. 46 3 43 45 3 42 295983.7912 -0.0600 0.0500 00 74. 49 3 46 48 3 45 313951.3431 -0.1330 0.0500 00 75. 50 3 47 49 3 46 319940.1509 -0.0886 0.0500 00 76. 23 4 20 22 4 19 158268.9699 -0.0714 0.0500 00 8 77. 24 4 21 23 4 20 164263.6793 -0.0747 0.0500 00 78. 28 4 25 27 4 24 188196.7553 -0.0016 0.0500 00 79. 29 4 26 28 4 25 194179.6231 -0.0155 0.0500 00 80. 26 4 22 25 4 21 182526.0000 -0.0894 0.0500 00 9 81. 27 4 23 26 4 22 188372.1952 0.0176 0.0500 00 82. 28 4 24 27 4 23 194262.5281 0.0105 0.0500 00 83. 31 4 27 30 4 26 212073.8503 0.0161 0.0500 00 84. 33 4 29 32 4 28 224001.8646 0.0382 0.0500 00 85. 42 4 38 41 4 37 277814.5465 -0.0783 0.0500 00 5.0E-01 86. 42 5 38 41 5 37 277814.5465 -0.0625 0.0500 00 10 -5.0E-01 -0.0070 87. 45 4 41 44 4 40 295768.4011 -0.0349 0.0500 00 9 5.0E-01 88. 45 5 41 44 5 40 295768.4011 -0.0329 0.0500 00 10 -5.0E-01 -0.0034 89. 23 5 19 22 5 18 163934.2618 -0.0308 0.0500 00 90. 27 5 23 26 5 22 188159.4099 0.0329 0.0500 00 91. 28 5 24 27 5 23 194140.4386 0.0012 0.0500 00 92. 31 5 27 30 5 26 212052.8451 0.0004 0.0500 00 93. 33 5 29 32 5 28 223995.7635 0.0415 0.0500 00 94. 21 5 16 20 5 15 161471.6564 -0.0148 0.0500 00 11 95. 26 5 21 25 5 20 190252.6114 -0.0165 0.0500 00 96. 27 5 22 26 5 21 195636.6130 -0.0052 0.0500 00 97. 30 5 25 29 5 24 212522.0849 0.0584 0.0500 00 98. 32 5 27 31 5 26 224193.0827 -0.0233 0.0500 00 99. 41 5 36 40 5 35 277700.5255 -0.0320 0.0500 00 100. 44 5 39 43 5 38 295620.2789 -0.0238 0.0500 00 101. 48 5 43 47 5 42 319529.2682 -0.0301 0.0500 00 102. 44 6 39 43 6 38 295620.2789 0.0646 0.0500 00 12 103. 48 6 43 47 6 42 319529.2682 -0.0242 0.0500 00 104. 22 6 17 21 6 16 161428.8473 0.0099 0.0500 00 105. 26 6 21 25 6 20 187712.2150 0.0029 0.0500 00 106. 27 6 22 26 6 21 193923.9301 0.0048 0.0500 00 107. 30 6 25 29 6 24 212103.8928 0.1266 0.0500 00 108. 32 6 27 31 6 26 224048.8042 0.0691 0.0500 00 109. 25 6 19 24 6 18 192464.6975 -0.0346 0.0500 00 13 110. 29 6 23 28 6 22 215313.5210 -0.0194 0.0500 00 111. 31 6 25 30 6 24 225813.2703 0.0340 0.0500 00 112. 40 6 34 39 6 33 277760.0989 -0.0235 0.0500 00 113. 43 6 37 42 6 36 295595.9539 -0.0024 0.0500 00 114. 22 7 16 21 7 15 162511.0136 -0.0035 0.0500 00 14 115. 31 7 25 30 7 24 223954.4482 0.0176 0.0500 00 116. 40 7 34 39 7 33 277743.0648 0.0434 0.0500 00 117. 43 7 37 42 7 36 295593.1325 -0.0229 0.0500 00 118. 24 7 17 23 7 16 183328.2871 -0.0068 0.0500 00 15 119. 25 7 18 24 7 17 192272.1207 -0.0295 0.0500 00 120. 29 7 22 28 7 21 223451.7916 0.0241 0.0500 00 121. 39 7 32 38 7 31 278313.6135 -0.0415 0.0500 00 122. 42 7 35 41 7 34 295838.0717 -0.0028 0.0500 00 123. 46 7 39 45 7 38 319501.2032 0.0274 0.0500 00 124. 22 8 15 21 8 14 161913.5840 0.0463 0.0500 00 16 125. 26 8 19 25 8 18 192643.2932 -0.0283 0.0500 00 126. 28 8 21 27 8 20 207507.0665 0.0038 0.0500 00 127. 29 8 22 28 8 21 214697.2540 0.1951 0.0500 00 128. 42 8 35 41 8 34 295776.8713 -0.0331 0.0500 00 129. 46 8 39 45 8 38 319495.0885 -0.0081 0.0500 00 130. 22 8 14 21 8 13 162348.3598 -0.0074 0.0500 00 17 131. 25 8 17 24 8 16 187319.2024 0.0035 0.0500 00 132. 28 8 20 27 8 19 214479.7908 -0.0118 0.0500 00 133. 29 8 21 28 8 20 223513.8626 -0.0494 0.0500 00 134. 37 8 29 36 8 28 276003.6985 0.0458 0.0500 00 135. 41 8 33 40 8 32 296997.3397 -0.0809 0.0500 00 136. 42 8 34 41 8 33 302614.1201 0.0024 0.0500 00 137. 43 8 35 42 8 34 308322.9933 0.0028 0.0500 00 138. 44 8 36 43 8 35 314097.6432 -0.0225 0.0500 00 139. 45 8 37 44 8 36 319918.6412 -0.0323 0.0500 00 140. 26 9 18 25 9 17 191934.8476 0.0943 0.0500 00 18 141. 26 9 17 25 9 16 192534.3299 0.0167 0.0500 00 19 142. 28 9 20 27 9 19 207490.2274 0.0217 0.0500 00 18 143. 29 9 21 28 9 20 215213.3314 0.0176 0.0500 00 144. 36 9 27 35 9 26 278803.4450 -0.0520 0.0500 00 19 145. 38 9 30 37 9 29 277958.7004 -0.0378 0.0500 00 18 146. 39 9 30 38 9 29 296520.0811 -0.0270 0.0500 00 19 147. 41 9 33 40 9 32 296135.7715 0.0596 0.0500 00 18 148. 43 9 34 42 9 33 316341.6348 0.0107 0.0500 00 19 149. 44 9 35 43 9 34 321626.9022 0.0133 0.0500 00 150. 45 9 37 44 9 36 319803.3392 -0.0940 0.0500 00 18 151. 25 10 15 24 10 14 183199.8427 0.0048 0.0500 00 21 152. 25 10 16 24 10 15 183169.5921 0.0439 0.0500 00 20 153. 29 10 20 28 10 19 214210.3183 0.1038 0.0500 00 154. 29 10 19 28 10 18 214655.5542 0.0312 0.0500 00 21 155. 36 10 26 35 10 25 277021.5961 -0.0170 0.0500 00 156. 41 10 31 40 10 30 316275.2396 0.0111 0.0500 00 157. 42 10 32 41 10 31 321941.7000 -0.4404 0.3003 00 158. 43 10 34 42 10 33 314200.1402 0.0084 0.0500 00 20 159. 26 11 16 25 11 15 190001.3678 -0.0318 0.0500 00 22 160. 26 11 15 25 11 14 190006.1456 -0.0190 0.0500 00 23 161. 29 11 19 28 11 18 213035.6561 -0.0090 0.0500 00 22 162. 29 11 18 28 11 17 213082.2155 0.0255 0.0500 00 23 163. 37 11 27 36 11 26 275771.2225 -0.0090 0.0500 00 22 164. 26 12 15 25 12 14 189354.8095 0.2468 0.0500 00 24 165. 29 12 17 28 12 16 212107.7611 -0.0296 0.0500 00 25 166. 22 13 10 21 13 9 159166.3938 0.0363 0.0500 00 26 167. 26 13 14 25 13 13 188860.1822 -0.1150 0.0500 00 168. 40 13 28 39 13 27 296826.3531 -0.0328 0.0500 00 169. 42 13 29 41 13 28 314352.6448 -0.0308 0.0500 00 27 170. 43 13 31 42 13 30 320782.4877 0.0061 0.0500 00 26 171. 43 13 30 42 13 29 323233.4785 0.0395 0.0500 00 27 172. 22 14 8 21 14 7 158931.5071 -0.0031 0.0500 00 29 173. 31 14 18 30 14 17 225887.7428 0.0312 0.0500 00 28 5.0E-01 174. 31 14 17 30 14 16 225887.7428 -0.0395 0.0500 00 29 -5.0E-01 -0.0004 175. 22 15 7 21 15 6 158739.2226 0.0074 0.0500 00 31 176. 26 15 11 25 15 10 188155.4014 0.0315 0.0500 00 177. 27 15 12 26 15 11 195552.6588 -0.0172 0.0500 00 178. 31 15 16 30 15 15 225343.0163 0.0128 0.0500 00 179. 38 15 24 37 15 23 278438.3544 0.0120 0.0500 00 30 180. 38 15 23 37 15 22 278439.8077 -0.0100 0.0500 00 31 181. 26 16 10 25 16 9 187894.3986 -0.0573 0.0500 00 33 182. 27 16 11 26 16 10 195260.8793 -0.0044 0.0500 00 183. 31 16 15 30 16 14 224898.9482 0.0026 0.0500 00 184. 38 16 23 37 16 22 277573.2186 -0.0760 0.0500 00 32 5.0E-01 185. 38 16 22 37 16 21 277573.2186 -0.1758 0.0500 00 33 -5.0E-01 -0.0126 186. 43 16 28 42 16 27 316033.2427 -0.0203 0.0500 00 32 187. 43 16 27 42 16 26 316037.8318 -0.0443 0.0500 00 33 188. 22 17 5 21 17 4 158441.2819 0.0335 0.0500 00 35 189. 26 17 9 25 17 8 187674.3608 0.0145 0.0500 00 190. 27 17 10 26 17 9 195015.3253 -0.0128 0.0500 00 191. 31 17 14 30 17 13 224529.1202 0.0024 0.0500 00 192. 38 17 21 37 17 20 276870.1938 -0.0463 0.0500 00 193. 43 17 27 42 17 26 314951.4623 0.1984 0.0500 00 34 5.0E-01 194. 43 17 26 42 17 25 314951.4623 -0.1669 0.0500 00 35 -5.0E-01 0.0016 195. 44 17 28 43 17 27 322654.2252 -0.0174 0.0500 00 34 196. 44 17 27 43 17 26 322655.0779 0.0566 0.0500 00 35 197. 22 18 4 21 18 3 158322.2613 0.0330 0.0500 00 37 198. 26 18 8 25 18 7 187485.3939 -0.0116 0.0500 00 199. 27 18 9 26 18 8 194805.0705 -0.0081 0.0500 00 200. 31 18 13 30 18 12 224215.3679 -0.0607 0.0500 00 201. 38 18 20 37 18 19 276285.4935 -0.0019 0.0500 00 202. 43 18 26 42 18 25 314069.5261 0.0471 0.0500 00 36 203. 44 18 27 43 18 26 321698.2830 -0.0039 0.0500 00 5.0E-01 204. 44 18 26 43 18 25 321698.2830 -0.0592 0.0500 00 37 -5.0E-01 -0.0032 205. 22 19 4 21 19 2 158217.2532 0.0559 0.0500 00 39 206. 27 19 8 26 19 7 194622.1652 0.0169 0.0500 00 207. 31 19 12 30 19 11 223944.9596 -0.0643 0.0500 00 208. 44 19 25 43 19 24 320904.0059 0.0124 0.0500 00 209. 26 20 6 25 20 5 187174.7880 0.0682 0.0500 00 41 210. 27 20 7 26 20 6 194460.5923 -0.0354 0.0500 00 211. 31 20 11 30 20 10 223708.4487 -0.0431 0.0500 00 212. 38 20 18 37 20 17 275362.7603 0.0045 0.0500 00 213. 41 20 21 40 20 20 297719.1018 -0.0592 0.0500 00 214. 44 20 25 43 20 24 320230.5182 -0.0374 0.0500 00 40 215. 26 21 6 25 21 4 187043.7795 0.0360 0.0500 00 43 216. 27 21 7 26 21 5 194316.0537 0.0332 0.0500 00 217. 31 21 11 30 21 9 223498.7581 -0.0125 0.0500 00 218. 43 21 22 42 21 21 312167.7697 0.0498 0.0500 00 219. 44 21 24 43 21 23 319650.0797 0.1019 0.0500 00 42 220. 26 22 4 25 22 3 186924.6326 0.0426 0.0500 00 45 221. 27 22 5 26 22 4 194184.9228 0.0724 0.0500 00 222. 31 22 9 30 22 8 223310.4088 -0.0446 0.0500 00 223. 41 22 19 40 22 18 296840.1140 0.0144 0.0500 00 224. 42 22 20 41 22 19 304260.0297 -0.0094 0.0500 00 225. 43 22 21 42 22 20 311694.0060 0.0787 0.0500 00 226. 30 23 8 29 23 7 215858.4748 -0.0134 0.0500 00 46 227. 43 23 20 42 23 19 311273.5865 0.0232 0.0500 00 47 228. 27 24 3 26 24 2 193952.4677 0.0156 0.0500 00 49 229. 30 24 6 29 24 5 215713.6052 -0.0351 0.0500 00 230. 42 24 18 41 24 17 303514.4747 0.0367 0.0500 00 231. 43 24 19 42 24 18 310896.6046 0.1994 0.0500 00 232. 27 25 3 26 25 2 193847.1588 -0.1336 0.0500 00 50 233. 41 25 17 40 25 16 295843.5535 -0.0217 0.0500 00 234. 42 25 17 41 25 16 303193.9618 0.0245 0.0500 00 51 235. 30 26 5 29 26 4 215451.7136 -0.1142 0.0500 00 52 236. 42 26 17 41 26 15 302900.1539 0.0712 0.0500 00 53 237. 30 27 4 29 27 3 215331.0931 -0.1914 0.0500 00 54 238. 42 27 15 41 27 14 302628.2324 0.0173 0.0500 00 55 239. 43 27 16 42 27 15 309952.5608 0.0083 0.0500 00 A-state, bR-types 240. 24 3 22 23 2 21 158408.6505 -0.0571 0.0500 00 5 241. 25 3 23 24 2 22 164394.3909 -0.0819 0.0500 00 242. 24 2 22 23 3 21 158391.5252 -0.0501 0.0500 00 6 243. 25 2 23 24 3 22 164385.7248 -0.0479 0.0500 00 244. 23 4 20 22 3 19 158656.4212 0.0701 0.0500 00 7 245. 24 4 21 23 3 20 164477.8850 -0.1415 0.0500 00 246. 28 4 25 27 3 24 188214.3455 0.0028 0.0500 00 247. 29 4 26 28 3 25 194188.8152 0.0085 0.0500 00 248. 32 4 29 31 3 28 212136.0379 -0.0766 0.0500 00 249. 24 3 21 23 4 20 164146.8915 -0.0676 0.0500 00 8 250. 28 3 25 27 4 24 188187.4662 -0.1226 0.0500 00 251. 29 3 26 28 4 25 194174.8933 -0.0065 0.0500 00 252. 32 3 29 31 4 28 212134.3594 0.1078 0.0500 00 253. 20 5 16 19 4 15 158571.8423 -0.0094 0.0500 00 9 254. 22 5 18 21 4 17 163974.5375 -0.0477 0.0500 00 255. 27 5 23 26 4 22 188646.6296 -0.0153 0.0500 00 256. 28 5 24 27 4 23 194414.9458 0.0411 0.0500 00 257. 31 5 27 30 4 26 212098.0818 -0.0279 0.0500 00 258. 33 5 29 32 4 28 224008.6433 0.0249 0.0500 00 259. 27 4 23 26 5 22 187884.9158 0.0061 0.0500 00 10 260. 28 4 24 27 5 23 193988.0616 0.0113 0.0500 00 261. 31 4 27 30 5 26 212028.5905 0.0214 0.0500 00 262. 33 4 29 32 5 28 223988.9422 0.0122 0.0500 00 263. 12 6 6 11 5 7 158401.3334 -0.1007 0.0500 00 264. 16 6 10 15 5 11 188658.1308 0.0163 0.0500 00 265. 18 6 13 17 5 12 187122.6320 -0.0503 0.0500 00 11 266. 21 6 16 20 5 15 189138.4584 -0.1118 0.0500 00 267. 22 6 17 21 5 16 189095.7308 -0.0057 0.0500 00 268. 23 6 18 22 5 17 189333.6634 -0.0680 0.0500 00 269. 25 6 20 24 5 19 191994.0450 -0.0251 0.0500 00 270. 26 6 21 25 5 20 194757.3032 0.0325 0.0500 00 271. 30 6 25 29 5 24 213100.8923 0.0678 0.0500 00 272. 32 6 27 31 5 26 224379.4626 0.0129 0.0500 00 273. 41 6 36 40 5 35 277701.2047 -0.0339 0.0500 00 274. 24 5 19 23 6 18 164287.6080 -0.0397 0.0500 00 12 275. 30 5 25 29 6 24 211524.9749 0.0067 0.0500 00 276. 41 5 36 40 6 35 277699.2791 0.0324 0.0500 00 277. 15 7 9 14 6 8 192468.7272 -0.0992 0.0500 00 13 278. 17 7 10 16 6 11 207011.7288 0.0156 0.0500 00 12 279. 18 7 11 17 6 12 214359.5364 0.0173 0.0500 00 280. 19 7 13 18 6 12 215978.0763 -0.0713 0.0500 00 13 281. 23 7 17 22 6 16 224233.2921 0.1297 0.0500 00 282. 24 7 18 23 6 17 223727.8916 0.0688 0.0500 00 283. 30 7 24 29 6 23 225461.1908 0.0442 0.0500 00 284. 40 7 34 39 6 33 277780.8673 0.1304 0.0500 00 285. 43 7 37 42 6 36 295599.2011 0.0401 0.0500 00 286. 28 6 22 27 7 21 193422.6388 -0.1177 0.0500 00 14 287. 40 6 34 39 7 33 277722.4196 0.0126 0.0500 00 288. 43 6 37 42 7 36 295589.9261 -0.0246 0.0500 00 289. 9 8 2 8 7 1 163396.9615 -0.0639 0.0500 00 15 290. 13 8 6 12 7 5 192032.0819 0.0127 0.0500 00 291. 13 8 5 12 7 6 192033.9544 0.0084 0.0500 00 14 292. 13 8 6 12 7 5 192032.0819 0.0127 0.0500 00 15 293. 16 8 9 15 7 8 213192.0127 -0.0110 0.0500 00 294. 39 8 32 38 7 31 278740.7858 0.0999 0.0500 00 295. 42 8 35 41 7 34 295916.9679 0.0143 0.0500 00 296. 42 8 34 41 9 33 301286.8035 0.0030 0.0500 00 18 297. 46 8 39 45 7 38 319508.4103 -0.0072 0.0500 00 15 298. 39 7 32 38 8 31 277582.0235 0.0368 0.0500 00 16 299. 42 7 35 41 8 34 295698.0183 -0.0070 0.0500 00 300. 29 9 21 28 8 20 296713.3290 0.1184 0.0500 00 17 301. 30 9 22 29 8 21 296052.8399 0.2174 0.0500 00 302. 45 9 37 44 8 36 320074.1458 -0.0261 0.0500 00 303. 14 10 5 13 9 4 225607.2677 -0.0308 0.0500 00 19 304. 24 10 15 23 9 14 295646.5358 0.0492 0.0500 00 305. 28 10 18 27 9 19 323099.0031 0.0062 0.0500 00 18 306. 12 11 2 11 10 1 224429.1040 -0.0315 0.0500 00 21 307. 22 11 12 21 10 11 295660.6532 -0.0615 0.0500 00 308. 25 11 14 24 10 15 316481.1849 0.1425 0.0500 00 20 309. 26 11 15 25 10 16 323317.6115 -0.0474 0.0500 00 310. 26 11 16 25 10 15 323254.9121 0.0553 0.0500 00 21 311. 23 12 12 22 11 11 316099.3282 0.1795 0.0500 00 23 5.0E-01 312. 23 12 11 22 11 12 316099.3282 -0.0281 0.0500 00 22 -5.0E-01 0.0076 313. 24 12 13 23 11 12 323122.9023 0.3272 0.0500 00 23 5.0E-01 314. 24 12 12 23 11 13 323122.9023 -0.2526 0.0500 00 22 -5.0E-01 0.0037 315. 21 13 8 20 12 9 315215.4042 0.0046 0.0500 00 24 316. 22 13 10 21 12 9 322329.4888 0.0384 0.0500 00 25 317. 14 14 1 13 13 0 278267.9775 -0.0887 0.0500 00 27 318. 19 14 6 18 13 5 314123.5651 -0.0236 0.0500 00 319. 20 14 7 19 13 6 321278.0376 -0.0258 0.0500 00 320. 18 15 4 17 14 3 320124.6221 -0.0207 0.0500 00 29 A-state, bQ-types 321. 36 6 31 36 5 32 162027.2577 0.1354 0.0500 00 10 322. 38 6 32 38 5 33 162640.1474 0.0375 0.0500 00 11 323. 43 6 37 43 5 38 192657.0937 -0.0156 0.0500 00 324. 45 6 40 45 5 41 214887.1978 0.1429 0.0500 00 10 325. 40 8 33 40 7 34 162808.2990 -0.0276 0.0500 00 14 326. 44 8 37 44 7 38 187296.5635 -0.0134 0.0500 00 327. 45 8 38 45 7 39 193345.6573 -0.0600 0.0500 00 328. 42 9 34 42 8 35 162328.1503 -0.1060 0.0500 00 16 329. 46 9 38 46 8 39 187355.3003 -0.0421 0.0500 00 330. 47 9 39 47 8 40 193530.1152 -0.0899 0.0500 00 331. 50 9 42 50 8 43 211858.5184 0.0710 0.0500 00 332. 52 9 44 52 8 45 223937.2602 0.1165 0.0500 00 333. 17 13 4 17 12 5 163990.1473 0.0243 0.0500 00 25 334. 18 13 6 18 12 7 163828.4092 -0.0573 0.0500 00 24 335. 19 13 7 19 12 8 163638.8964 -0.0840 0.0500 00 336. 20 13 8 20 12 9 163418.3465 -0.0303 0.0500 00 337. 21 13 9 21 12 10 163163.2476 0.1527 0.0500 00 338. 22 13 10 22 12 11 162869.2857 0.0170 0.0500 00 339. 23 13 10 23 12 11 162532.6541 -0.0156 0.0500 00 25 5.0E-01 340. 23 13 11 23 12 12 162532.6541 -0.0351 0.0500 00 24 -5.0E-01 -0.0025 341. 24 13 11 24 12 12 162148.7254 0.0251 0.0500 00 25 5.0E-01 342. 24 13 12 24 12 13 162148.7254 -0.0323 0.0500 00 24 -5.0E-01 -0.0004 343. 25 13 12 25 12 13 161712.4140 0.1415 0.0500 00 25 5.0E-01 344. 25 13 13 25 12 14 161712.4140 -0.0182 0.0500 00 24 -5.0E-01 0.0062 345. 30 13 18 30 12 19 158530.1081 -0.0429 0.0500 00 346. 39 14 26 39 13 27 163386.8540 0.0486 0.0500 00 26 347. 40 14 27 40 13 28 161773.8312 0.0390 0.0500 00 348. 42 14 29 42 13 30 158343.0921 0.0285 0.0500 00 349. 20 15 5 20 14 6 190182.7552 0.0171 0.0500 00 29 350. 21 15 6 21 14 7 190014.6650 -0.0101 0.0500 00 351. 22 15 7 22 14 8 189822.3991 0.0191 0.0500 00 352. 23 15 8 23 14 9 189603.3850 -0.0383 0.0500 00 353. 26 15 11 26 14 12 188759.5652 -0.0492 0.0500 00 354. 27 15 12 27 14 13 188406.0285 0.0096 0.0500 00 355. 28 15 13 28 14 14 188010.6476 -0.0099 0.0500 00 356. 29 15 14 29 14 15 187569.7417 -0.0037 0.0500 00 357. 30 15 15 30 14 16 187079.1780 0.0194 0.0500 00 358. 49 15 35 49 14 36 163033.3937 -0.0893 0.0500 00 28 359. 50 15 36 50 14 37 161982.0557 -0.1310 0.0500 00 360. 51 15 37 51 14 38 161457.3282 -0.1218 0.0500 00 361. 52 15 38 52 14 39 161588.8955 -0.0611 0.0500 00 362. 53 15 39 53 14 40 162484.5553 0.0552 0.0500 00 363. 39 16 23 39 15 24 194877.3405 -0.0442 0.0500 00 31 364. 41 16 25 41 15 26 192684.5055 0.0091 0.0500 00 365. 43 16 27 43 15 28 190016.9042 -0.0681 0.0500 00 366. 25 17 8 25 16 9 215991.1480 0.0085 0.0500 00 33 367. 26 17 9 26 16 10 215771.0111 -0.0188 0.0500 00 368. 27 17 10 27 16 11 215525.4803 -0.0040 0.0500 00 369. 28 17 11 28 16 12 215252.3589 -0.0319 0.0500 00 370. 29 17 12 29 16 13 214949.4674 -0.0350 0.0500 00 371. 30 17 13 30 16 14 214614.4487 0.0251 0.0500 00 372. 31 17 14 31 16 15 214244.6184 0.0226 0.0500 00 373. 32 17 15 32 16 16 213837.3360 0.0570 0.0500 00 374. 33 17 16 33 16 17 213389.5363 0.0049 0.0500 00 375. 34 17 17 34 16 18 212898.1416 -0.0422 0.0500 00 376. 35 17 18 35 16 19 212359.7708 -0.0400 0.0500 00 377. 36 17 19 36 16 20 211770.6836 -0.0109 0.0500 00 378. 36 18 18 36 17 19 225789.9858 -0.0225 0.0500 00 35 379. 37 18 19 37 17 20 225252.6546 -0.0581 0.0500 00 380. 38 18 20 38 17 21 224667.9226 -0.0453 0.0500 00 381. 39 18 21 39 17 22 224032.1900 -0.0439 0.0500 00 382. 39 22 17 39 21 18 279435.8312 0.0150 0.0500 00 43 383. 40 22 18 40 21 19 279053.0039 0.0347 0.0500 00 384. 42 22 20 42 21 21 278199.8436 0.0740 0.0500 00 385. 43 22 21 43 21 22 277726.0554 0.0784 0.0500 00 386. 44 22 22 44 21 23 277218.3890 0.1244 0.0500 00 387. 45 22 23 45 21 24 276674.7514 0.0996 0.0500 00 388. 46 22 24 46 21 25 276093.1081 0.0733 0.0500 00 389. 47 22 25 47 21 26 275471.1149 -0.0597 0.0500 00 390. 27 25 2 27 24 3 322129.5333 0.1709 0.0500 00 49 391. 28 25 3 28 24 4 322015.0218 0.1214 0.0500 00 392. 29 25 4 29 24 5 321890.5713 0.0376 0.0500 00 393. 30 25 6 30 24 6 321755.6957 0.0607 0.0500 00 394. 31 25 7 31 24 7 321609.4967 -0.0544 0.0500 00 395. 32 25 7 32 24 8 321451.5024 -0.1005 0.0500 00 396. 33 25 9 33 24 9 321281.0479 -0.0357 0.0500 00 397. 34 25 10 34 24 10 321097.2210 -0.0376 0.0500 00 398. 37 25 12 37 24 13 320458.0292 -0.1279 0.0500 00 399. 38 25 14 38 24 14 320213.0035 -0.1567 0.0500 00 400. 39 25 14 39 24 15 319950.5671 -0.1540 0.0500 00 401. 48 25 23 48 24 24 316636.5783 -0.0814 0.0500 00 402. 49 25 24 49 24 25 316141.3689 -0.1208 0.0500 00 403. 50 25 25 50 24 26 315616.3765 0.2857 0.0500 00 404. 51 25 26 51 24 27 315058.9553 0.0120 0.0500 00 405. 52 25 27 52 24 28 314468.4529 0.0068 0.0500 00 A-state, nominal cR-types 406. 18 15 3 17 14 3 320124.6206 -0.0222 0.0500 00 29 Scappini,Mader,Dreizler, Z.Nat. 31a,1398(1976) 407. 2 0 2 1 0 1 14144.2800 -0.0296 0.1000 10 1 408. 2 1 2 1 0 1 19163.8400 0.3166 0.1000 10 409. 2 0 2 1 1 1 8212.3400 -0.6888 0.1000 10 2 410. 2 1 1 2 0 2 8592.2000 0.3336 0.1000 10 1 411. 3 1 3 2 1 2 19663.1800 -0.1513 0.1000 10 2 412. 3 0 3 2 0 2 20870.1100 0.0277 0.1000 10 1 413. 3 1 3 2 0 2 24682.4600 -0.0851 0.1000 10 414. 3 0 3 2 1 2 15850.3600 -0.5085 0.1000 10 2 415. 3 1 2 3 0 3 10788.1900 0.1918 0.1000 10 1 416. 4 1 4 3 1 3 26049.6900 -0.0260 0.1000 10 2 417. 4 0 4 3 0 3 27248.2000 0.0595 0.1000 10 1 418. 4 1 4 3 0 3 29862.0400 -0.1387 0.1000 10 419. 4 0 4 3 1 3 23435.9000 0.2223 0.1000 10 2 420. 5 1 5 4 1 4 32349.6200 0.0347 0.1000 10 421. 5 0 5 4 0 4 33326.9400 0.0303 0.1000 10 1 422. 5 1 5 4 0 4 34963.4200 -0.2036 0.1000 10 423. 5 0 5 4 1 4 30713.1000 0.2285 0.1000 10 2 IFPAN MMW, E-state, aR-types 424. 26 0 26 25 0 25 158894.5057 -0.1006 0.0500 10 1 5.0E-01 425. 26 1 26 25 1 25 158894.5057 -0.1001 0.0500 10 2 -5.0E-01 -0.0100 426. 30 0 30 29 0 29 182888.1095 -0.0487 0.0500 10 1 427. 31 0 31 30 0 30 188886.0075 -0.0576 0.0500 10 428. 32 0 32 31 0 31 194883.7328 -0.0306 0.0500 10 429. 35 0 35 34 0 34 212875.4516 -0.0799 0.0500 10 430. 37 0 37 36 0 36 224868.7673 -0.0969 0.0500 10 431. 46 0 46 45 0 45 278825.4319 -0.1217 0.0500 10 432. 49 0 49 48 0 48 296805.4926 -0.2079 0.0500 10 433. 53 0 53 52 0 52 320774.1940 -0.3202 0.0500 10 434. 25 1 24 24 1 23 158664.9577 -0.1065 0.0500 10 3 5.0E-01 435. 25 2 24 24 2 23 158664.9577 -0.0249 0.0500 10 4 -5.0E-01 -0.0066 436. 29 1 28 28 1 27 182653.0918 -0.0205 0.0500 10 3 5.0E-01 437. 29 2 28 28 2 27 182653.0918 -0.0163 0.0500 10 4 -5.0E-01 -0.0018 438. 30 1 29 29 1 28 188649.8926 -0.0535 0.0500 10 3 5.0E-01 439. 30 2 29 29 2 28 188649.8926 -0.0516 0.0500 10 4 -5.0E-01 -0.0053 440. 31 1 30 30 1 29 194646.6451 -0.0083 0.0500 10 3 5.0E-01 441. 31 2 30 30 2 29 194646.6451 -0.0073 0.0500 10 4 -5.0E-01 -0.0008 442. 34 1 33 33 1 32 212635.8515 0.0293 0.0500 10 3 443. 36 1 35 35 1 34 224627.5842 -0.0647 0.0500 10 444. 45 1 44 44 1 43 278578.7373 0.0420 0.0500 10 445. 48 1 47 47 1 46 296557.1812 0.0290 0.0500 10 446. 52 1 51 51 1 50 320523.7729 0.0242 0.0500 10 447. 24 2 22 23 2 21 158487.9941 -0.0326 0.0500 10 5 448. 25 2 23 24 2 22 164476.1402 -0.0632 0.0500 10 449. 29 2 27 28 2 26 188441.4415 -0.1531 0.0500 10 5.0E-01 450. 29 3 27 28 3 26 188441.4415 0.0194 0.0500 10 6 -5.0E-01 -0.0067 451. 30 2 28 29 2 27 194434.3821 -0.0928 0.0500 10 5 5.0E-01 452. 30 3 28 29 3 27 194434.3821 -0.0079 0.0500 10 6 -5.0E-01 -0.0050 453. 33 2 31 32 2 30 212414.4188 -0.0215 0.0500 10 5 5.0E-01 454. 33 3 31 32 3 30 212414.4188 -0.0117 0.0500 10 6 -5.0E-01 -0.0017 455. 35 2 33 34 2 32 224401.4339 -0.0295 0.0500 10 5 5.0E-01 456. 35 3 33 34 3 32 224401.4339 -0.0273 0.0500 10 6 -5.0E-01 -0.0028 457. 44 2 42 43 2 41 278337.8122 0.1043 0.0500 10 5 458. 47 2 45 46 2 44 296312.6748 0.0998 0.0500 10 459. 51 2 49 50 2 48 320275.0929 0.1854 0.0500 10 460. 25 3 23 24 3 22 164473.5452 0.0753 0.0500 10 6 461. 23 3 20 22 3 19 158555.2755 -0.1266 0.0500 10 7 462. 24 3 21 23 3 20 164474.6280 -0.1409 0.0500 10 463. 28 3 25 27 3 24 188316.9983 -0.0672 0.0500 10 464. 29 3 26 28 3 25 194295.2335 -0.0424 0.0500 10 465. 34 3 31 33 3 30 224217.2036 -0.1726 0.0500 10 466. 23 4 20 22 4 19 158387.7737 0.0232 0.0500 10 8 467. 24 4 21 23 4 20 164380.5950 -0.0642 0.0500 10 468. 28 4 25 27 4 24 188308.9937 -0.0578 0.0500 10 469. 29 4 26 28 4 25 194291.0350 -0.0388 0.0500 10 470. 34 4 31 33 4 30 224217.2036 -0.0260 0.0500 10 471. 43 3 40 42 3 39 278116.1390 0.0422 0.0500 10 7 5.0E-01 472. 43 4 40 42 4 39 278116.1390 0.0424 0.0500 10 8 -5.0E-01 0.0042 473. 46 3 43 45 3 42 296083.3170 0.0716 0.0500 10 7 474. 50 3 47 49 3 46 320037.4008 0.2853 0.0500 10 475. 26 4 22 25 4 21 182658.4674 -0.2815 0.0500 10 9 476. 27 4 23 26 4 22 188505.7389 -0.2620 0.0500 10 477. 28 4 24 27 4 23 194396.6483 -0.1675 0.0500 10 478. 31 4 27 30 4 26 212206.7789 -0.1400 0.0500 10 479. 33 4 29 32 4 28 224133.0030 -0.0848 0.0500 10 480. 23 5 19 22 5 18 164094.5442 0.1836 0.0500 10 10 481. 27 5 23 26 5 22 188301.0801 0.0091 0.0500 10 482. 28 5 24 27 5 23 194279.6414 -0.0388 0.0500 10 483. 31 5 27 30 5 26 212186.9428 -0.0522 0.0500 10 484. 33 5 29 32 5 28 224127.2505 -0.0841 0.0500 10 485. 42 4 38 41 4 37 277936.4193 0.0316 0.0500 10 9 5.0E-01 486. 42 5 38 41 5 37 277936.4193 0.0460 0.0500 10 10 -5.0E-01 0.0039 487. 45 4 41 44 4 40 295887.1767 0.0632 0.0500 10 9 5.0E-01 488. 45 5 41 44 5 40 295887.1767 0.0649 0.0500 10 10 -5.0E-01 0.0064 489. 49 4 45 48 4 44 319824.2713 0.1274 0.0500 10 9 490. 30 5 25 29 5 24 212667.2231 -0.1459 0.0500 10 11 491. 32 5 27 31 5 26 224340.8377 -0.1816 0.0500 10 492. 22 6 17 21 6 16 161686.4927 -0.0279 0.0500 10 12 493. 26 6 21 25 6 20 187902.7668 0.2623 0.0500 10 494. 27 6 22 26 6 21 194104.7993 0.1810 0.0500 10 495. 30 6 25 29 6 24 212265.3956 0.0410 0.0500 10 496. 32 6 27 31 6 26 224203.3060 -0.0002 0.0500 10 497. 41 6 36 40 6 35 277838.6599 0.1203 0.0500 10 5.0E-01 498. 41 5 36 40 5 35 277838.6599 -0.4610 0.0500 10 11 -5.0E-01 -0.0170 499. 44 6 39 43 6 38 295754.5006 0.0436 0.0500 10 12 5.0E-01 500. 44 5 39 43 5 38 295754.5006 -0.0371 0.0500 10 11 -5.0E-01 0.0003 501. 48 5 43 47 5 42 319657.9492 0.0888 0.0500 10 5.0E-01 502. 48 6 43 47 6 42 319657.9492 0.0942 0.0500 10 12 -5.0E-01 0.0091 503. 40 6 34 39 6 33 277911.2101 -0.0956 0.0500 10 13 504. 43 6 37 42 6 36 295742.1753 -0.0142 0.0500 10 505. 26 7 20 25 7 19 191810.2750 0.0418 0.0500 10 14 506. 29 7 23 28 7 22 211667.3523 0.2249 0.0500 10 507. 31 7 25 30 7 24 224148.0655 0.1086 0.0500 10 508. 40 7 34 39 7 33 277895.2519 -0.0651 0.0500 10 509. 43 7 37 42 7 36 295739.6016 0.0028 0.0500 10 510. 47 7 41 46 7 40 319575.2098 0.1271 0.0500 10 5.0E-01 511. 47 6 41 46 6 40 319575.2098 -0.0775 0.0500 10 13 -5.0E-01 0.0025 512. 25 7 18 24 7 17 192648.3180 -0.3083 0.0500 10 15 513. 29 7 22 28 7 21 223684.8339 -0.0585 0.0500 10 514. 39 7 32 38 7 31 278464.4790 -0.0919 0.0500 10 515. 42 7 35 41 7 34 295990.1925 -0.0728 0.0500 10 516. 46 7 39 45 7 38 319647.0515 0.1220 0.0500 10 517. 22 8 15 21 8 14 162479.1816 0.1338 0.0500 10 16 518. 26 8 19 25 8 18 193177.7537 -0.2251 0.0500 10 519. 29 8 22 28 8 21 215015.1515 -0.0255 0.0500 10 520. 39 8 32 38 8 31 278175.8077 -0.0893 0.0500 10 521. 42 8 35 41 8 34 295932.8737 -0.0650 0.0500 10 522. 46 8 39 45 8 38 319641.2405 -0.0712 0.0500 10 523. 37 8 29 36 8 28 276104.4612 0.5042 0.0500 10 17 524. 41 8 33 40 8 32 297128.8992 0.1954 0.0500 10 525. 44 8 36 43 8 35 314241.3668 0.0819 0.0500 10 526. 45 8 37 44 8 36 320062.8792 0.0806 0.0500 10 527. 22 9 14 21 9 13 161403.4598 0.1972 0.0500 10 18 528. 26 9 18 25 9 17 192600.7749 0.1531 0.0500 10 529. 29 9 21 28 9 20 215821.3383 -0.2246 0.0500 10 530. 30 9 22 29 9 21 223340.1303 -0.0846 0.0500 10 531. 38 9 30 37 9 29 278167.7488 -0.0122 0.0500 10 532. 41 9 33 40 9 32 296309.1196 -0.0274 0.0500 10 533. 44 9 36 43 9 35 314057.6700 -0.0482 0.0500 10 534. 45 9 37 44 9 36 319954.8472 -0.0059 0.0500 10 535. 39 9 30 38 9 29 296628.2903 -0.1989 0.0500 10 19 536.E 43 9 34 42 9 33 316432.3141 1.1112 0.0000--excl 537.E 44 9 35 43 9 34 321730.3714 0.8171 0.0000--excl 538. 29 10 20 28 10 19 214856.1627 0.2476 0.0500 10 20 539. 37 10 28 36 10 27 275501.0979 -0.1537 0.0500 10 540. 40 10 31 39 10 30 295710.8622 -0.2774 0.0500 10 541. 43 10 34 42 10 33 314383.2784 -0.1204 0.0500 10 542. 25 10 15 24 10 14 183339.3925 0.0144 0.0500 10 21 543.E 29 10 19 28 10 18 214685.4154 0.8002 0.0000--excl 544. 25 11 15 24 11 14 182771.8843 0.1138 0.0500 10 22 545. 29 11 19 28 11 18 213490.6018 0.2039 0.0500 10 546. 37 11 27 36 11 26 276229.4513 0.6181 0.0500 10 547. 25 11 14 24 11 13 182531.3419 -0.1143 0.0500 10 23 548. 26 11 15 25 11 14 190136.5303 0.0904 0.0500 10 549. 29 11 18 28 11 17 213223.0875 0.4616 0.0500 10 550. 26 12 14 25 12 13 189456.6050 -0.0842 0.0500 10 25 551. 29 12 17 28 12 16 212232.9433 0.3374 0.0500 10 552.E 37 12 25 36 12 24 275356.0026 2.1820 0.0000--excl 553. 42 12 30 41 12 29 321047.7843 -0.1249 0.0500 10 554. 26 12 15 25 12 14 189716.0511 0.2333 0.0500 10 24 555. 29 12 18 28 12 17 212512.2035 0.0693 0.0500 10 556.E 37 12 26 36 12 25 275258.5296 0.7420 0.0000--excl 557. 42 12 31 41 12 30 314172.4390 0.4325 0.0500 10 558. 43 12 32 42 12 31 321671.1294 -0.0820 0.0500 10 559. 26 13 13 25 13 12 188932.9204 -0.0240 0.0500 10 27 560.E 40 13 27 39 13 26 297462.0365 2.1349 0.0000--excl 561.E 40 13 28 39 13 27 297485.9709 0.9929 0.0000--excl 26 562. 22 14 8 21 14 7 158958.4618 -0.3769 0.0500 10 29 563. 26 14 12 25 14 11 188514.5584 -0.2237 0.0500 10 564. 31 14 17 30 14 16 225961.1583 0.2668 0.0500 10 565.E 43 14 29 42 14 28 319591.6436 1.6300 0.0000--excl 566. 26 14 13 25 14 12 188798.2367 0.1870 0.0500 10 28 567. 40 14 27 39 14 26 295735.2089 -0.0991 0.0500 10 568. 43 14 30 42 14 29 319668.0737 -0.1844 0.0500 10 569. 26 15 11 25 15 10 188171.2999 -0.1464 0.0500 10 31 570. 27 15 12 26 15 11 195572.4711 -0.2407 0.0500 10 571. 31 15 16 30 15 15 225382.6188 0.1311 0.0500 10 572. 26 15 12 25 15 11 188466.5539 0.1840 0.0500 10 30 573. 31 15 17 30 15 16 225712.8433 0.1215 0.0500 10 574. 38 15 24 37 15 23 278881.5156 -0.1603 0.0500 10 575. 22 16 7 21 16 6 158826.6565 -0.2042 0.0500 10 32 576. 27 16 12 26 16 11 195566.4836 0.0014 0.0500 10 577. 31 16 16 30 16 15 225248.4391 0.0207 0.0500 10 578. 38 16 23 37 16 22 277990.6472 -0.1615 0.0500 10 579. 22 16 6 21 16 5 158558.1696 -0.1657 0.0500 10 33 580. 26 16 10 25 16 9 187882.7452 -0.1593 0.0500 10 581. 27 16 11 26 16 10 195252.2231 -0.0728 0.0500 10 582. 31 16 15 30 16 14 224905.7931 0.0025 0.0500 10 583. 43 16 27 42 16 26 316126.7569 0.2183 0.0500 10 584. 26 17 10 25 17 9 187951.3574 -0.0282 0.0500 10 34 585. 27 17 11 26 17 10 195302.8797 -0.1165 0.0500 10 586. 38 17 22 37 17 21 277263.2054 -0.0699 0.0500 10 587. 26 17 9 25 17 8 187635.4164 -0.0764 0.0500 10 35 588. 27 17 10 26 17 9 194978.4196 -0.0984 0.0500 10 589. 31 17 14 30 17 13 224504.0458 -0.0337 0.0500 10 590. 38 17 21 37 17 20 276880.8323 0.4136 0.0500 10 591. 22 18 4 21 18 3 158255.6849 0.3131 0.0500 10 37 592. 26 18 8 25 18 7 187419.6414 0.0799 0.0500 10 593. 27 18 9 26 18 8 194740.5662 0.1798 0.0500 10 594. 31 18 13 30 18 12 224159.1167 -0.0115 0.0500 10 595. 38 18 20 37 18 19 276258.9208 0.0522 0.0500 10 596. 43 18 25 42 18 24 314076.0745 0.4219 0.0500 10 597. 44 18 26 43 18 25 321712.6467 0.4812 0.0500 10 598. 22 18 5 21 18 4 158540.5478 -0.2886 0.0500 10 36 599. 26 18 9 25 18 8 187744.2976 -0.1378 0.0500 10 600. 27 18 10 26 18 9 195073.9538 -0.1293 0.0500 10 601. 31 18 14 30 18 13 224523.3566 0.0461 0.0500 10 602. 26 19 7 25 19 6 187228.3631 0.2556 0.0500 10 39 603. 27 19 8 26 19 7 194530.1757 0.2230 0.0500 10 604. 31 19 12 30 19 11 223858.0385 0.0165 0.0500 10 605. 38 19 19 37 19 18 275727.3731 -0.1730 0.0500 10 606. 44 19 25 43 19 24 320878.2115 -0.1600 0.0500 10 607. 26 20 6 25 20 5 187056.4839 0.5487 0.0500 10 41 608. 27 20 7 26 20 6 194341.8004 0.4657 0.0500 10 609. 31 20 11 30 20 10 223591.5491 0.2099 0.0500 10 610. 38 20 18 37 20 17 275265.4572 -0.3803 0.0500 10 611. 41 20 21 40 20 20 297636.6685 -0.5655 0.0500 10 612. 44 20 24 43 20 23 320166.5125 -0.6637 0.0500 10 613. 31 20 12 30 20 11 223971.6164 -0.2675 0.0500 10 40 614. 38 20 19 37 20 18 275681.0077 0.2054 0.0500 10 615. 41 20 22 40 20 21 298057.2365 0.2522 0.0500 10 616. 44 20 25 43 20 24 320584.8296 -0.0364 0.0500 10 E-state, bR-types 617. 24 2 22 23 3 21 158477.1929 0.0095 0.0500 10 6 618. 25 2 23 24 3 22 164470.6510 -0.0493 0.0500 10 619. 24 3 22 23 2 21 158493.5396 0.0099 0.0500 10 5 620. 25 3 23 24 2 22 164479.0047 0.0318 0.0500 10 621.E 23 4 20 22 3 19 158760.8651 -0.5674 0.0000--excl 7 622. 28 4 25 27 3 24 188325.6321 -0.0984 0.0500 10 623. 29 4 26 28 3 25 194299.6680 -0.0708 0.0500 10 624. 23 3 20 22 4 19 158181.9576 0.2375 0.0500 10 8 625. 24 3 21 23 4 20 164268.8963 0.1577 0.0500 10 626. 28 3 25 27 4 24 188300.3405 -0.0460 0.0500 10 627. 29 3 26 28 4 25 194286.6021 -0.0088 0.0500 10 628.E 26 5 22 25 4 21 183124.9782 -0.9117 0.0000--excl 9 629.E 27 5 23 26 4 22 188767.5413 -0.6707 0.0000--excl 630. 28 5 24 27 4 23 194541.4953 -0.3960 0.0500 10 631. 31 5 27 30 4 26 212229.6294 -0.1586 0.0500 10 632. 33 5 29 32 4 28 224139.3590 -0.0817 0.0500 10 633. 23 4 19 22 5 18 161728.3724 -0.3977 0.0500 10 10 634. 27 4 23 26 5 22 188039.2026 0.3428 0.0500 10 635. 28 4 24 27 5 23 194134.8196 0.2150 0.0500 10 636. 31 4 27 30 5 26 212164.1148 -0.0111 0.0500 10 637. 33 4 29 32 5 28 224120.9164 -0.0653 0.0500 10 638. 25 6 20 24 5 19 191929.3054 -0.2388 0.0500 10 11 639.E 26 6 21 25 5 20 194748.0270 3.7999 0.0000--excl 640.E 30 6 25 29 5 24 213217.8516 -1.0789 0.0000--excl 641. 32 6 27 31 5 26 224516.8696 -0.4674 0.0500 10 642. 41 6 36 40 5 35 277839.6642 -0.0806 0.0500 10 643. 30 5 25 29 6 24 211714.4132 0.6202 0.0500 10 12 644. 32 5 27 31 6 26 224027.1570 0.1685 0.0500 10 645. 40 7 34 39 6 33 277930.3510 -0.0795 0.0500 10 13 646. 43 7 37 42 6 36 295745.1154 -0.0158 0.0500 10 647. 40 6 34 39 7 33 277876.1573 -0.0348 0.0500 10 14 648. 43 6 37 42 7 36 295736.6383 -0.0188 0.0500 10 649. 39 8 32 38 7 31 278865.6741 -0.1184 0.0500 10 15 650. 42 8 35 41 7 34 296063.5822 -0.0288 0.0500 10 651. 46 8 39 45 7 38 319653.5990 0.0264 0.0500 10 652. 46 7 39 45 8 38 319634.6370 -0.0316 0.0500 10 16 653. 42 7 35 41 8 34 295859.5721 -0.0209 0.0500 10 654. 39 7 32 38 8 31 277774.7388 0.0634 0.0500 10 655. 45 9 37 44 8 36 320207.4324 0.1010 0.0500 10 17 E-state, bQ-types 656. 31 2 29 31 1 30 163798.3217 -0.0161 0.0500 10 3 657. 35 2 33 35 1 34 186892.6460 -0.0440 0.0500 10 658. 36 2 34 36 1 35 192659.9607 -0.0160 0.0500 10 659. 36 6 31 36 5 32 162946.0723 -0.0316 0.0500 10 10 660. 45 6 40 45 5 41 215948.0795 -0.3332 0.0500 10 661. 38 6 32 38 5 33 163525.9796 0.2161 0.0500 10 11 662. 42 6 36 42 5 37 187636.4752 -0.0683 0.0500 10 663. 43 6 37 43 5 38 193597.3685 -0.1641 0.0500 10 664. 42 7 36 42 6 37 187641.6815 -0.0734 0.0500 10 12 665. 43 7 37 43 6 38 193600.1882 -0.1218 0.0500 10 666. 17 13 5 17 12 6 164078.8237 -0.1312 0.0500 10 24 667. 18 13 6 18 12 7 163907.6478 -0.1513 0.0500 10 668. 19 13 7 19 12 8 163708.0193 0.0199 0.0500 10 669. 20 13 8 20 12 9 163476.1596 -0.0678 0.0500 10 670. 21 13 9 21 12 10 163208.8572 -0.0220 0.0500 10 671. 22 13 10 22 12 11 162901.9867 -0.0567 0.0500 10 672. 23 13 11 23 12 12 162551.3526 -0.1075 0.0500 10 673. 21 13 8 21 12 9 163769.3278 0.1091 0.0500 10 25 674. 22 13 9 22 12 10 163451.4298 0.1929 0.0500 10 675. 23 13 10 23 12 11 163089.3951 0.1329 0.0500 10 676. 24 13 11 24 12 12 162678.7060 0.0547 0.0500 10 677. 25 13 12 25 12 13 162214.3984 0.1009 0.0500 10 678. 26 13 13 26 12 14 161690.5224 -0.0304 0.0500 10 679. 24 15 10 24 14 11 189453.1974 0.0529 0.0500 10 28 680. 25 15 11 25 14 12 189157.2268 -0.0750 0.0500 10 681. 26 15 12 26 14 13 188825.6342 0.0121 0.0500 10 682. 27 15 13 27 14 14 188454.7870 -0.0784 0.0500 10 683. 29 15 15 29 14 16 187581.6919 -0.1360 0.0500 10 684. 30 15 16 30 14 17 187071.6346 0.0140 0.0500 10 685. 23 15 8 23 14 9 190222.2272 -0.0772 0.0500 10 29 686. 24 15 9 24 14 10 189948.2463 0.0333 0.0500 10 687. 25 15 10 25 14 11 189640.9985 -0.0034 0.0500 10 688. 26 15 11 26 14 12 189297.6608 -0.0053 0.0500 10 689. 29 15 14 29 14 15 188017.0129 -0.1462 0.0500 10 690. 30 15 15 30 14 16 187493.8868 -0.2198 0.0500 10 691. 31 15 16 31 14 17 186915.3012 -0.4017 0.0500 10 692. 26 17 10 26 16 11 215928.0557 0.1735 0.0500 10 32 693. 27 17 11 27 16 12 215664.4891 0.0928 0.0500 10 694. 28 17 12 28 16 13 215372.6687 -0.0341 0.0500 10 695. 29 17 13 29 16 14 215050.6023 0.0377 0.0500 10 696. 31 17 15 31 16 16 214305.1996 -0.0575 0.0500 10 697. 32 17 16 32 16 17 213876.7007 -0.1160 0.0500 10 698. 33 17 17 33 16 18 213407.2498 -0.1007 0.0500 10 699. 34 17 18 34 16 19 212893.6704 -0.0368 0.0500 10 700. 36 17 20 36 16 21 211719.9856 0.0122 0.0500 10 701. 28 17 11 28 16 12 215793.3916 0.1968 0.0500 10 33 702. 29 17 12 29 16 13 215460.4182 0.1811 0.0500 10 703. 30 17 13 30 16 14 215094.3182 0.1382 0.0500 10 704. 31 17 14 31 16 15 214692.5931 0.1242 0.0500 10 705. 32 17 15 32 16 16 214252.3972 0.0306 0.0500 10 706. 33 17 16 33 16 17 213770.8196 -0.1115 0.0500 10 nominal cR-types 707. 16 8 8 15 7 8 213894.2583 0.1988 0.0500 10 15 708. 16 8 9 15 7 9 213316.9700 -0.1114 0.0500 10 14 709. 23 9 14 22 8 14 275303.0701 0.0995 0.0500 10 17 710. 14 10 5 13 9 5 225781.2169 -0.0028 0.0500 10 18 711. 21 10 11 20 9 11 275815.1132 0.0384 0.0500 10 19 712. 21 10 12 20 9 12 275383.1779 -0.0067 0.0500 10 18 713. 24 10 14 23 9 14 296328.7151 0.0996 0.0500 10 19 714. 25 10 16 24 9 16 302630.1278 -0.0187 0.0500 10 18 715. 25 10 15 24 9 15 302992.5942 0.1839 0.0500 10 19 716. 27 10 17 26 9 17 315860.3211 0.0114 0.0500 10 717. 27 10 18 26 9 18 315707.0583 0.0294 0.0500 10 18 718. 12 11 1 11 10 1 225192.2640 0.0499 0.0500 10 21 719. 12 11 2 11 10 2 224625.4700 -0.0476 0.0500 10 20 720. 25 11 15 24 10 15 316723.0610 0.0417 0.0500 10 721. 21 12 9 20 11 9 302631.5179 -0.0769 0.0500 10 23 722. 23 12 12 22 11 12 316399.1679 0.1135 0.0500 10 22 723. 23 12 12 22 11 12 316399.1687 0.1143 0.0500 10 724. 24 12 13 23 11 13 323422.5641 0.0407 0.0500 10 725. 19 13 7 18 12 7 301270.3169 0.2028 0.0500 10 24 726. 21 13 9 20 12 9 315548.1957 0.2152 0.0500 10 727. 21 13 8 20 12 8 315891.1212 -0.0779 0.0500 10 25 728. 22 13 10 21 12 10 322663.9305 0.1566 0.0500 10 24 729. 22 13 9 21 12 9 322986.6552 -0.1595 0.0500 10 25 730.E 14 14 0 13 13 0 279064.0352 -0.6424 0.0000--excl 27 731.E 14 14 1 13 13 1 278610.6106 0.7131 0.0000--excl 26 732. 20 14 6 19 13 6 321980.2638 -0.3148 0.0500 10 27 733. 20 14 7 19 13 7 321644.4441 0.3147 0.0500 10 26 Maximum (obs-calc)/err: line 612 = 13.27324 State 00: 383 lines MICROWAVE RMS = 0.069628 RMS ERROR = 1.290622 State 10: 296 lines MICROWAVE RMS = 0.186683 RMS ERROR = 3.535271 Lines fitted = 679 MICROWAVE RMS = 0.134761 MHz = [(sum(o-c)^2)/n]^(1/2) RMS ERROR = 2.527439 = [(sum((o-c)/err)^2)/n]^(1/2) (Obs-Calc)/Err for worst fitting lines: 612: -13.3 643: 12.4 546: 12.4 611: -11.3 607: 11.0 523: 10.1 597: 9.6 641: -9.3 608: 9.3 549: 9.2 557: 8.7 596: 8.4 590: 8.3 691: -8.0 633: -8.0 630: -7.9 610: -7.6 562: -7.5 409: -6.9 634: 6.9 551: 6.7 660: -6.7 433: -6.4 732: -6.3 733: 6.3 591: 6.3 512: -6.2 598: -5.8 403: 5.7 474: 5.7 475: -5.6 540: -5.5 613: -5.3 564: 5.3 493: 5.2 476: -5.2 602: 5.1 414: -5.1 615: 5.0 538: 5.0 164: 4.9 570: -4.8 638: -4.8 624: 4.7 554: 4.7 518: -4.5 506: 4.5 529: -4.5 563: -4.5 603: 4.5 35 SINGULAR VALUES USED OUT OF 35, STANDARD DEVIATION = 0.25952111D+01 679 NORMAL EQUATIONS STATE OLD PARAMETER STANDARD ERROR 1 RHO1 41.534199030E-03 24.0101E-06 RHO1 0.041534(24) RHO2 0.000000000E+00 2 BETA1 32.116689673E+00 25.8788E-03 BETA1 /deg 32.116(25) BETA2 0.000000000E+00 ALPHA1 0.000000000E+00 ALPHA2 0.000000000E+00 1 3 A 10.191847294E+03 2.2134E-03 A /MHz 10191.8472(22) 1 4 B 4.149533386E+03 1.3066E-03 B /MHz 4149.5333(13) 1 5 C 3.000692760E+03 941.1147E-06 C /MHz 3000.69275(94) 1 6 DELTA J 821.167821932E-03 744.4163E-06 DELTA J /kHz 0.82116(74) 1 7 DELTA JK 17.776089245E+00 2.8968E-03 DELTA JK /kHz 17.7760(28) 1 8 DELTA K -6.326648529E+00 11.0628E-03 DELTA K /kHz -6.326(11) 1 9 DDELTA J 269.275615123E-03 385.5259E-06 DDELTA J /kHz 0.26927(38) 1 10 DDELTA K 9.840352459E+00 6.0023E-03 DDELTA K /kHz 9.8403(60) 1 11 PHI J 1.423557611E-03 227.3725E-06 PHI J /Hz 0.00142(22) 1 12 PHI JK 159.851482457E-03 2.1308E-03 PHI JK /Hz 0.1598(21) 1 13 PHI KJ -321.277314846E-03 8.4456E-03 PHI KJ /Hz -0.3212(84) 1 14 PHI K 188.584462855E-03 19.1743E-03 PHI K /Hz 0.188(19) 1 15 PPHI J 560.607314334E-06 114.8775E-06 PPHI J /Hz 0.00056(11) 1 16 PPHI JK 100.629470390E-03 2.2868E-03 PPHI JK /Hz 0.1006(22) 1 17 PPHI K 322.898951737E-03 18.0257E-03 PPHI K /Hz 0.322(18) 1 18 1 0 1 0 0 0 3.571134789E+03 1.5477E+00 eps_10 /MHz 3571.1(15) 1 19 2 0 1 0 0 0 13.419798096E+00 140.3071E-03 eps_20 /MHz 13.41(14) 1 20 1 0-1 0 0 1 -27.807969153E+00 307.5974E-03 B010_10 /MHz -27.80(30) 1 21 1 0-1 0 0 3 13.855106330E-03 112.6077E-06 B030_10 /MHz 0.01385(11) 1 22 1 0-1 0 2 1 4.068171527E-03 105.4278E-06 B210_10 /MHz 0.00406(10) 1 23 1 0-1 1 0 0 -162.188793143E+00 95.2313E-03 B001_10 /MHz -162.188(95) 1 24 1 0-1 1 0 2 -37.888761517E-03 4.2189E-03 B021_10 /MHz -0.0378(42) 1 25 1 0-1 1 2 0 35.545905731E-03 442.5031E-06 B201_10 /MHz 0.03554(44) 1 1 0-1 1 4 0 1.000000000E-36 1 26 1 0-1 2 0 1 1.148782151E-03 69.3978E-06 B012_10 /MHz 0.001148(69) 1 27 1 0-1 3 0 0 17.947996351E-03 473.0966E-06 B003_10 /MHz 0.01794(47) 1 28 1 0 1 0 0 2 -1.061717604E+00 9.1554E-03 B020_10 /kHz -1061.7(91) 1 29 1 0 1 0 0 4 120.005264573E-06 5.5308E-06 B040_10 /Hz 120.0(55) 1 30 1 0 1 0 2 0 23.872719694E-03 457.7977E-06 B200_10 /kHz 23.87(45) 1 31 1 0 1 0 2 2 138.185549113E-06 1.1800E-06 B220_10 /Hz 138.1(11) 1 32 1 0 1 0 4 0 -775.314148601E-09 121.0728E-09 B400_10 /Hz -0.77(12) 1 1 0 1 2 0 0 1.000000000E-36 1 33 1 0 1 2 0 2 138.241626288E-06 4.8380E-06 B022_10 /Hz 138.2(48) 1 1 0 1 2 2 0 1.000000000E-36 1 34 1 0 1 2 2 2 -12.839525154E-09 1.2377E-09 B222_10 /mHz -12.8(12) 1 1 0 1 4 0 0 1.000000000E-36 1 1 0 1 4 0 2 1.000000000E-36 1 2 0-1 0 0 1 1.000000000E-36 1 2 0-1 1 0 0 1.000000000E-36 1 2 0 1 0 0 2 1.000000000E-36 1 35 2 0 1 0 2 0 7.437487924E-03 156.8502E-06 B200_20 /kHz 7.43(15) 1 2 0 1 2 0 0 1.000000000E-36 CORRELATION MATRIX PAR 1 2 3 4 5 6 7 8 9 10 11 12 1 100000 2 -93991 100000 3 19706 -18068 100000 4 -9984 15585 10760 100000 5 -12030 11110 -7187 -11827 100000 6 -20779 21564 -758 80975 21512 100000 7 21733 -19647 17949 -3347 18743 -34171 100000 8 17069 -13026 75049 -21288 -6487 -15808 -27340 100000 9 -34856 36689 916 74414 -32026 65223 -34553 -11495 100000 10 1920 -3890 -8207 45366 -39817 54314 -44895 -11655 43067 100000 11 -33083 28895 -5911 60053 19421 89724 -51321 -8392 70921 51672 100000 12 34731 -39420 -5158 -19778 17420 -13298 17866 -15113 -30221 -5253 -9762 100000 13 -9404 14593 13625 25272 -22543 1382 31672 -4488 10878 1394 -16597 -80816 14 17850 -12500 51125 -28428 21190 -16906 -21847 85112 -22121 -24714 -7687 13683 15 -37164 33483 -1991 61674 -18015 68474 -45926 -7629 93432 43196 84465 -16638 16 -24375 19832 -16956 25301 -12459 49863 -58798 -6582 56735 74083 71605 -3859 17 15873 -25489 -10063 -19264 9620 112 -16782 -5399 -10147 15035 19491 85891 18 58824 -81198 13144 -10591 -16330 -13470 12575 3635 -27369 10787 -15251 25600 19 -8832 -8898 -6248 23355 -23505 11112 7948 -32011 13142 18167 3107 18358 20 -92153 99415 -17285 13204 13106 20696 -19061 -12830 35866 -4731 28507 -36897 21 36461 -56904 12216 -19132 12208 -17276 8434 21592 -28363 -10743 -11630 17113 22 98147 -97481 19061 -10753 -14416 -20456 18826 16177 -35709 4862 -32029 36557 23 -22551 25240 -5695 -12260 14206 -3820 -6174 399 -1479 -3884 1387 -1569 24 -23844 10355 -21140 17062 -31744 15548 1142 -47223 23094 27099 15482 3439 25 34971 -33956 13758 38051 -55109 17307 -1705 -2860 4904 45327 -6639 -11165 26 88009 -91458 13312 -26429 5222 -27718 17217 16531 -38181 -12114 -27619 46198 27 -36860 34534 -15524 -39025 56867 -16135 618 1568 -2819 -47675 9938 11577 28 -86292 95920 -23868 15359 10602 21038 -16859 -23402 38003 -2379 27318 -30202 29 36510 -38993 42693 -23173 16697 -18813 -2553 69737 -33554 -20279 -18641 3424 30 55793 -38626 16563 9278 -25441 -3427 -6325 30247 -11959 6063 -17421 -11831 31 68401 -61593 8891 4649 -15186 -10012 41378 -14174 -17184 10071 -21063 17463 32 10467 -25461 9555 16051 -24281 4294 17862 -15693 -6363 27567 -12590 7884 33 73388 -69756 7731 -14268 -2810 -15199 -564 20233 -28578 -876 -18097 22258 34 20554 -33439 12885 6038 -22314 -8937 29104 -13327 -11055 10419 -21474 16838 35 -19479 -342 -32022 -765 -12819 5042 -1555 -55926 14962 11647 13855 23504 PAR 13 14 15 16 17 18 19 20 21 22 23 24 13 100000 14 -38486 100000 15 -8606 -14159 100000 16 -26314 -5652 66828 100000 17 -83051 15119 13371 27683 100000 18 -3606 -5370 -18104 -13590 25040 100000 19 -8253 -32477 10034 961 8982 34107 100000 20 12092 -11841 32643 20946 -23981 -84762 -12048 100000 21 -15982 32293 -17612 -9713 17925 73516 16114 -62256 100000 22 -10765 15348 -36111 -23564 19951 70708 2102 -96751 45254 100000 23 -9496 7044 -1515 9991 930 -30076 -4792 27020 -17448 -24361 100000 24 14519 -64747 24441 10863 12128 18812 46819 10107 -30839 -16329 -3048 100000 25 35534 -28408 -4265 -13525 -17393 41163 32370 -37509 -1305 39481 -47264 32469 26 -29640 25067 -32734 -16034 34574 66617 -4110 -90131 54805 90349 -15996 -25793 27 -36694 26966 8170 14667 19151 -39553 -33235 38098 2460 -41185 24177 -30560 28 8077 -21370 32757 22593 -20891 -88390 -10254 97782 -71260 -92215 28212 13101 29 -12505 82604 -27972 -20131 285 33381 -14220 -41446 60688 39338 -5647 -49129 30 17582 22753 -18528 -23525 -18499 16086 -24399 -41153 3352 51766 -19731 -28782 31 24528 -28503 -21573 -17361 6506 37978 -16659 -59098 5404 63372 -23793 6630 32 18667 -30024 -10664 -12327 -735 45755 47695 -26761 18310 19660 -13015 41331 33 -12256 20881 -23346 -13909 19390 50977 -17614 -71382 37856 75998 -17925 -30169 34 10884 -22265 -18081 -18588 4091 42605 45839 -32897 18542 25778 -10645 39125 35 -16042 -62694 21071 17750 28339 26333 57260 -292 -3567 -11661 1553 71332 PAR 25 26 27 28 29 30 31 32 33 34 35 25 100000 26 4404 100000 27 -95477 -5120 100000 28 -37343 -86301 37613 100000 29 -2897 42679 1105 -54790 100000 30 48975 32807 -51662 -43719 36052 100000 31 34372 50576 -33253 -52092 -14571 28901 100000 32 48678 -2047 -49852 -25196 -7372 -32170 12503 100000 33 23220 76298 -24686 -71679 38325 66773 39604 -19843 100000 34 30518 15458 -31207 -29271 -2299 -30844 22791 70708 -35427 100000 35 722 -3330 1855 6142 -56257 -50416 4414 28010 -23124 35678 100000 DERIVED PARAMETERS VALUE STD ERROR INTERNAL MOMENTS OF INERTIA (u*A**2) 3.2055189 0.0007417 0.0000000 0.0000000 REDUCED INTERNAL MOMENTS OF INERTIA (u*A**2) 3.0847710 0.0006604 0.0000000 0.0000000 0.0000000 0.0000000 ANGLES (A,1) 57.0317304 0.0262363 (B,1) 32.9682696 0.0262363 (C,1) 90.0000000 0.0000000 (A,2) 90.0000000 0.0000000 (B,2) 90.0000000 0.0000000 (C,2) 90.0000000 0.0000000 ALPHAQ1 0.0000000 0.0000000 ALPHAQ2 57.2957795 0.0000000 OMEGA 90.0000000 0.0000000 F-NUMBERS (F1,F2,F') (MHz) 163830.33 35.08 0.00 0.00 0.00 0.00 F-NUMBERS (F1,F2,F') (CM-1) 5.4647916 0.0011700 0.0000000 0.0000000 0.0000000 0.0000000 TORSIONAL ENERGY DIFFERENCES (MHz) -10753.6603 4.8028 --------------------------------------------------------------------------------------------- ---------------------------------------------------------------------------------------------