_______________________________________________________________________________ SiD3F, v6=1 (J=10 transition corrected 0.3 MHz down) _______________________________________________________________________________ Fit of K-doubling in v=1 E state of a C3v symmetric top A = 42768.1320000000000000000 B = 12214.4862014689000000000 +- .0004070712873216152 DJ = .0104568291752612200 +- .0000004022971737310 DJK = .1271888105281351000 +- .0000084411352461488 DK = .0000000000000000000 HJ = .0000000000000000000 HJK = .0000004169091268950 +- .0000000082770934708 HKJ = .0000019728524235162 +- .0000000335236773747 HK = .0000000000000000000 Azeta= 8653.3049648728430000000 +- 3.6957603733623240000 nJ = .2086326782824389000 +- .0000558439827393118 nK = 68.7290701259566400000 +- 1.3604640096282960000 nJJ = .0000000000000000000 nJK = .0000214851986057105 +- .0000003957996037728 nKK = .0654641303824016800 +- .0118448237988903100 qv = 33.0094694384443300000 +- .0023544933515453570 qj = .0002042889646019410 +- .0000021331896589740 qk = .0000000000000000000 qjj = .0000000000000000000 qjk = .0000000000000000000 qkk = .0000000000000000000 qjjj = .0000000000000000000 rv = .0000000000000000000 q3 = .0000000000000000000 h6 = .0000000000000000000 t = .0000856135995910150 +- .0000002918679935019 LJ = .0000000000000000000 LJJK = .0000000000000000000 LJK = -.0000000000709630064 +- .0000000000278578237 LKKJ = .0000000001920320678 +- .0000000000377521654 Deviation of fit = .036340 Weighted deviation of fit = .852443 J Kl-1 K l Observed Obs-Calc Error 1. 0 -1 0, 1 E 24428.9900 .0594 .0800 2. 1 -1 0, 1 E 48857.5300 -.0060 .0800 3. 1 -2 1,-1 E 48856.2400 -.0268 .0800 4. -1 0 -1,-1 A- 48791.9300 .0096 .0800 5. 1 0 1, 1 A+ 48923.9500 -.0017 .0800 6. -8 -3 -2, 1 A- .0000 -219810.7142 .0500EXCL 7. 8 -3 2,-1 A+ .0000 -219811.2073 .0500EXCL 8. -9 -3 -2, 1 A- .0000 -244225.3452 .0500EXCL 9. 9 -3 2,-1 A+ .0000 -244226.0232 .0500EXCL 10. 10 0 1, 1 A+ .0000 -269027.3791 .2000EXCL 11. 10 1 2, 1 E 268677.7000 .4093 .2000EXCL 12. 10 2 3, 1 E 268659.2000 -.3453 .2000EXCL 13. 10 -2 1,-1 E 268647.6000 -.1396 .2000EXCL 14. 10 -1 0, 1 E 268646.6000 -.1584 .2000EXCL 15. 10 3 4, 1 A+ 268641.6000 -.0921 .2000EXCL 16. -10 -3 -2, 1 A- 268637.0000 -.2038 .2000EXCL 17. 10 -3 2,-1 A+ 268637.9000 -.2078 .2000EXCL 18. 10 4 5, 1 E .0000 -268619.6400 .2000EXCL 19. 10 -4 3,-1 E 268620.5000 -.1034 .2000EXCL 20. 10 -5 4,-1 E 268597.3400 -.0621 .2000EXCL 21. 10 5 6, 1 E 268592.5800 .0034 .2000EXCL 22. 10 -6 5,-1 A+ 268568.0300 -.2953 .2000EXCL 23. 10 6 7, 1 A+ 268560.1700 -.0677 .2000EXCL 24. 10 -8 7,-1 E 268492.7600 -.2007 .2000EXCL 25. 10 8 9, 1 E 268479.1300 -.2370 .2000EXCL 26. 10 -9 8,-1 A+ 268446.9500 .1808 .2000EXCL 27. 10 9 10, 1 A+ 268430.8100 .0416 .2000EXCL 28. 10 -10 9,-1 E 268395.0000 .0592 .2000EXCL 29. 10 -11 10,-1 E 268337.6000 .1065 .2000EXCL 30. -10 0 -1,-1 A- 268301.7000 -.5584 .2000EXCL 31. -10 0 -1,-1 A- 268302.4000 .1416 .2000EXCL 32. -10 0 -1,-1 A- 268302.0500 -.2084 .2000EXCL 33. -11 -3 -2, 1 A- .0000 -293046.0132 .0500EXCL 34. 11 -3 2,-1 A+ .0000 -293047.1883 .0500EXCL 35. -12 0 -1,-1 A- 317058.6196 -.0234 .0300 36. 12 0 1, 1 A+ .0000 -317915.0939 .0300EXCL 37. 12 1 2, 1 E 317509.3064 .0540 .0300 38. 12 2 3, 1 E 317484.3632 -.0969 .0300 39. 12 3 4, 1 A+ 317462.0519 -.0263 .0300 40. 12 4 5, 1 E 317435.4000 .0258 .0300 41. 12 5 6, 1 E 317403.0110 .0051 .0300 42. 12 6 7, 1 A+ 317364.4970 -.0362 .0300 43. 12 7 8, 1 E 317319.7899 .0146 .0300 44. 12 8 9, 1 E 317268.6767 .0273 .0300 45. 12 9 10, 1 A+ 317211.1110 -.0060 .0300 46. 12 10 11, 1 E 317147.1445 -.0175 .0300 47. 12 11 12, 1 E 317076.7540 -.0275 .0300 48. 12 -1 0, 1 E 317457.8953 .0132 .0300 49. 12 -2 1,-1 E 317462.9123 .0440 .0300 50. -12 -3 -2, 1 A- 317451.4990 .0025 .0300 51. 12 -3 2,-1 A+ 317453.0120 .0199 .0300 52. 12 -4 3,-1 E 317432.7340 -.0142 .0300 53. 12 -5 4,-1 E 317405.7200 -.0113 .0300 54. 12 -6 5,-1 A+ 317371.5900 -.0546 .0300 55. 12 -7 6,-1 E 317330.7136 .0312 .0300 56. 12 -8 7,-1 E 317282.9187 -.0251 .0300 57. 12 -9 8,-1 A+ 317228.4570 -.0291 .0300 58. 12 -10 9,-1 E 317167.3211 -.0256 .0300 59. 12 -11 10,-1 E 317099.5418 -.0110 .0300 60. 12 -12 11,-1 A+ 317025.1410 .0148 .0300 61. 12 -13 12,-1 E 316944.1393 .0531 .0300 62. -20 0 -1,-1 A- 511935.0940 .0143 .0500 63. 20 0 1, 1 A+ 513313.8820 -.0278 .0500 64. 20 -1 0, 1 E 512509.2090 .0018 .0500 65. 20 -2 1,-1 E 512551.3270 .2008 .0500 66. -20 -3 -2, 1 A- 512542.4500 -.0290 .0500 67. 20 -3 2,-1 A+ .0000 -512548.7985 .0500EXCL 68. 20 -4 3,-1 E 512520.0870 -.0138 .0500 69. 20 -5 4,-1 E 512480.1080 -.0099 .0500 70. 20 -6 5,-1 A+ 512427.5690 -.0017 .0500 71. 20 -7 6,-1 E 512363.2190 -.0497 .0500 72. 20 -8 7,-1 E 512287.6230 .0031 .0500 73. 20 -9 8,-1 A+ 512200.8640 .0096 .0500 74. 20 -10 9,-1 E 512103.1360 .0210 .0500 75. 20 -11 10,-1 E 511994.5290 .0313 .0500 76. 20 -12 11,-1 A+ 511875.0920 .0197 .0500 77. 20 -13 12,-1 E 511744.9060 .0124 .0500 78. 20 -14 13,-1 E 511604.0020 -.0058 .0500 79. 20 -15 14,-1 A+ 511452.4260 -.0302 .0500 80. 20 -16 15,-1 E 511290.2080 -.0698 .0500EXCL 81. 20 -17 16,-1 E 511117.3870 -.1240 .0500EXCL 82. 20 -18 17,-1 A+ .0000 -510934.1940 .0500EXCL 83. 20 -19 18,-1 E 510740.0840 -.2825 .0500EXCL 84. 20 -20 19,-1 E 510535.8660 -.2035 .0500EXCL 85. 20 -21 20,-1 A+ 510320.9280 -.4179 .0500EXCL 86. 20 1 2, 1 E .0000 -512729.1359 .0500EXCL 87. 20 2 3, 1 E 512655.2920 .0125 .0500 88. 20 3 4, 1 A+ 512607.5600 .0111 .0500 89. 20 4 5, 1 E 512558.6030 .0186 .0500 90. 20 5 6, 1 E 512502.8170 .0096 .0500 91. 20 6 7, 1 A+ 512438.3620 .0116 .0500 92. 20 7 8, 1 E 512364.5030 .0776 .0500 93. 20 8 9, 1 E 512280.6580 .0080 .0500 94. 20 9 10, 1 A+ 512186.8320 .0081 .0500 95. 20 10 11, 1 E 512082.8450 .0068 .0500 96. 20 11 12, 1 E 511968.7130 .0777 .0500 97. 20 12 13, 1 A+ 511844.1930 .0049 .0500 98. 20 13 14, 1 E 511709.4870 -.0021 .0500 99. 20 14 15, 1 E 511564.5360 -.0082 .0500 100. 20 15 16, 1 A+ 511409.3570 -.0119 .0500 101. 20 16 17, 1 E 511244.0100 .0241 .0500 102. 20 17 18, 1 E 511068.4140 -.0101 .0500 103. 20 18 19, 1 A+ 510882.7100 -.0074 .0500 104. 20 19 20, 1 E 510686.9050 .0008 .0500 105. -21 -3 -2, 1 A- 536905.5990 -.0087 .0500 106. 21 -3 2,-1 A+ 536912.9920 .1189 .0500 107. -22 0 -1,-1 A- 560606.9800 .0065 .0500 108. 22 0 1, 1 A+ 562115.4490 -.0177 .0500 109. 22 -1 0, 1 E 561211.5000 -.0110 .0500 110. -22 -3 -2, 1 A- 561262.6500 -.0054 .0500 111. 22 -3 2,-1 A+ .0000 -561270.9559 .0500EXCL 112. 22 -4 3,-1 E 561240.9030 -.0153 .0500 113. 22 -9 8,-1 A+ 560895.0380 .0051 .0500 114. 22 -14 13,-1 E 560242.7470 -.0538 .0500 115. 22 -18 17,-1 A+ 559510.0570 .0216 .0500EXCL 116. 22 -21 20,-1 A+ 558838.2360 -1.1455 .0500EXCL 117. 22 -22 21,-1 E 558591.8050 -1.2124 .0500EXCL 118. 22 -23 22,-1 E .0000 -558335.3327 .0500EXCL 119. 22 1 2, 1 E 561499.2760 .0005 .0500 120. 22 2 3, 1 E 561407.0650 .0024 .0500 121. 22 3 4, 1 A+ 561350.7710 -.0019 .0500 122. 22 4 5, 1 E 561295.1160 .0103 .0500 123. 22 9 10, 1 A+ 560884.6140 .0089 .0500 124. 22 14 15, 1 E 560202.3290 -.0136 .0500 125. 22 18 19, 1 A+ 559455.5190 -.0075 .0500 126. 22 20 21, 1 E 559015.6570 .0058 .0500 127. 22 21 22, 1 A+ 558781.8960 2.6464 .0500EXCL 128. -23 0 -1,-1 A- 584934.4690 -.0022 .0500 129. 23 0 1, 1 A+ 586507.6140 -.0154 .0500 130. 23 1 2, 1 E 585877.9650 .0014 .0500 131. 23 3 4, 1 A+ 585714.6490 -.0043 .0500 132. 23 -1 0, 1 E 585551.9680 -.0125 .0500 133. 23 -2 1,-1 E 585617.8530 -.0194 .0500 134. -23 -3 -2, 1 A- 585613.3480 -.0006 .0500 135. 23 -3 2,-1 A+ 585622.7460 -.0313 .0500 136. -24 -3 -2, 1 A- 609957.4490 .0350 .0500 137. 24 -3 2,-1 A+ 609968.0150 -.0530 .0500 138. -25 0 -1,-1 A- 633571.2910 -.0351 .0500 139. 25 0 1, 1 A+ 635273.4560 -.0002 .0500 140. 25 -1 0, 1 E 634210.1690 -.0259 .0500 141. 25 -2 1,-1 E .0000 -634295.2722 .0500EXCL 142. -25 -3 -2, 1 A- .0000 -634294.5792 .0500EXCL 143. 25 -3 2,-1 A+ .0000 -634306.5591 .0500EXCL 144. 25 -4 3,-1 E 634275.1770 -.0195 .0500 145. 25 -5 4,-1 E .0000 -634229.5508 .0500EXCL 146. 25 -6 5,-1 A+ .0000 -634167.1506 .0500EXCL 147. 25 -7 6,-1 E 634089.5190 .0041 .0500 148. 25 -8 7,-1 E 633997.4050 -.0038 .0500 149. 25 -9 8,-1 A+ 633891.3220 .0600 .0500 150. 25 -10 9,-1 E 633771.3340 -.0040 .0500 151. 25 -11 10,-1 E 633637.8110 .0005 .0500 152. 25 -12 11,-1 A+ .0000 -633490.8025 .0500EXCL 153. 25 -13 12,-1 E 633330.3200 -.0868 .0500EXCL 154. 25 -15 14,-1 A+ 632969.4940 -.2467 .0500EXCL 155. 25 -16 15,-1 E .0000 -632769.5920 .0500EXCL 156. 25 -17 16,-1 E 632555.7140 -.5926 .0500EXCL 157. 25 -18 17,-1 A+ .0000 -632329.9374 .0500EXCL 158. 25 -19 18,-1 E 632089.3150 -1.2226 .0500EXCL 159. 25 -20 19,-1 E .0000 -631838.1612 .0500EXCL 160. 25 -21 20,-1 A+ 631570.6980 -2.1659 .0500EXCL 161. 25 -22 21,-1 E .0000 -631294.7037 .0500EXCL 162. 25 -23 22,-1 E 630999.8700 -3.8712 .0500EXCL 163. 25 -24 23,-1 A+ .0000 -630700.0399 .0500EXCL 164. 25 -25 24,-1 E .0000 -630383.6666 .0500EXCL 165. 25 -26 25,-1 E .0000 -630054.6916 .0500EXCL 166. 25 1 2, 1 E 634621.4250 -.0015 .0500 167. 25 2 3, 1 E 634496.8690 .0003 .0500 168. 25 3 4, 1 A+ 634425.7820 -.0169 .0500 169. 25 4 5, 1 E .0000 -634359.0577 .0500EXCL 170. 25 5 6, 1 E .0000 -634286.3255 .0500EXCL 171. 25 6 7, 1 A+ 634204.0990 .0140 .0500 172. 25 8 9, 1 E 634005.8820 .0154 .0500 173. 25 9 10, 1 A+ 633888.6930 -.0682 .0500 174. 25 10 11, 1 E .0000 -633759.3053 .0500EXCL 175. 25 11 12, 1 E 633617.3780 .0065 .0500 176. 25 12 13, 1 A+ .0000 -633462.8891 .0500EXCL 177. 25 13 14, 1 E 633295.8030 -.0198 .0500 178. 25 14 15, 1 E .0000 -633116.1612 .0500EXCL 179. 25 15 16, 1 A+ 632923.8960 -.0136 .0500 180. 25 16 17, 1 E .0000 -632719.0855 .0500EXCL 181. 25 17 18, 1 E 632501.7170 .0006 .0500 182. 25 18 19, 1 A+ .0000 -632271.8372 .0500EXCL 183. 25 19 20, 1 E 632029.4950 .0050 .0500 184. 25 20 21, 1 E .0000 -631774.7228 .0500EXCL 185. 25 21 22, 1 A+ 631507.6000 .0110 .0500 186. 25 22 23, 1 E .0000 -631228.1475 .0500EXCL 187. 25 23 24, 1 E 630936.4870 .0244 .0500 188. 25 24 25, 1 A+ 630632.5810 -.0226 .0500 Sigma = .036340 116 Transitions in fit Sigma.w = .852443 101 Degrees of freedom A /MHz 42768.132 qv /MHz 33.0094(23) B /MHz 12214.48620(40) qj /kHz 0.2042(21) DJ /kHz 10.45682(40) qk /kHz 0. DJK /kHz 127.1888(84) qjj / Hz 0. DK /kHz 0. qjk / Hz 0. HJ / Hz 0. qkk / Hz 0. HJK / Hz 0.4169(82) qjjj /mHz 0. HKJ / Hz 1.972(33) rv /MHz 0. HK / Hz 0. q3 /kHz 0. Azeta/MHz 8653.3(36) h6 /mHz 0. nJ /kHz 208.632(55) t / Hz 85.61(29) nK /kHz 68729.(1360) LJ /mHz 0. nJJ / Hz 0. LJJK /mHz 0. nJK / Hz 21.48(39) LJK /mHz -0.070(27) nKK / Hz 65464.(11844) LKKJ /mHz 0.192(37) CORRELATION COEFFICIENTS, C.ij: B DJ DJK HJK HKJ Azeta nJ nK B 1.0000 DJ .9314 1.0000 DJK .7270 .6658 1.0000 HJK .6646 .7201 .8697 1.0000 HKJ .4535 .3719 .8224 .5477 1.0000 Azeta .0268 .0873 .1202 .1438 .2263 1.0000 nJ .1336 .2148 .2912 .2344 .4364 .5000 1.0000 nK .0949 .1870 .2225 .2503 .3519 .7978 .7669 1.0000 nJK -.1614 -.2083 -.4041 -.3014 -.6472 -.5362 -.8704 -.7828 nKK -.0778 -.1177 -.2366 -.2448 -.4141 -.6826 -.4721 -.8377 qv .2436 .2053 .1861 .1529 .1276 -.1755 .0147 .0213 qj .2298 .1925 .1757 .1440 .1201 -.1243 .0088 .0176 t .0205 -.0016 .0210 .0061 .0266 .0167 .0171 .0425 LJK -.4678 -.5082 -.7574 -.8721 -.6375 -.2738 -.2462 -.3850 LKKJ .1101 .2418 .1783 .5336 .0003 .3477 .1940 .4504 nJK nKK qv qj t LJK LKKJ nJK 1.0000 nKK .7200 1.0000 qv -.0377 -.0303 1.0000 qj -.0324 -.0287 .9658 1.0000 t -.0259 -.0458 .0003 -.0005 1.0000 LJK .4090 .4914 -.1138 -.1076 -.0184 1.0000 LKKJ -.2650 -.5375 .0138 .0126 .0112 -.7062 1.0000 Mean value of |C.ij|, i.ne.j = .3041 Mean value of C.ij, i.ne.j = .0489 Distribution of values of |C.ij|, i.ne.j: 10 20 30 40 50 60 ....,....|....,....|....,....|....,....|....,....|....,....|....,.. 26 < .05 ************************** 3 < .10 *** 11 < .15 *********** 9 < .20 ********* 12 < .25 ************ 4 < .30 **** 2 < .35 ** 3 < .40 *** 4 < .45 **** 5 < .50 ***** 6 < .55 ****** 0 < .60 2 < .65 ** 3 < .70 *** 4 < .75 **** 4 < .80 **** 2 < .85 ** 3 < .90 *** 1 < .95 * 1 <1.00 *