Pyruvonitrile, v_18=1, E Fri Oct 27 13:44:20 2017 -------------------------------------------------------------------------------------========= obs o-c error blends Notes o-c wt / instead of : below denotes (o-c)>3*err -------------------------------------------------------------------------------------========= ! !F.Scappini et al. Z.Naturforsch.31a,1398-1407,1976 ! : 2 0 2 0 2 1 0 1 0 1 14144.3400 0.2021 0.050 0.1327 0.35 : 2 0 2 0 3 1 0 1 0 2 14144.3400 0.0955 0.050 0.1327 0.65 : 2 1 2 0 3 1 0 1 0 2 19163.8400 0.616 UNFITTD 19163.2236 : 2 0 2 0 3 1 1 1 0 2 8212.7400 -0.928 UNFITTD 8213.6685 : 2 1 1 0 1 2 0 2 0 1 8592.0000 0.6612 0.050 0.0165 0.19 : 2 1 1 0 2 2 0 2 0 2 8592.0000 -0.6923 0.050 0.0165 0.29 : 2 1 1 0 3 2 0 2 0 3 8592.0000 0.1778 0.050 0.0165 0.52 : 3 1 3 0 2 2 1 2 0 1 19663.4300 0.0500 0.050 0.0266 0.32 : 3 1 3 0 4 2 1 2 0 3 19663.4300 0.0156 0.050 0.0266 0.68 : 3 0 3 0 2 2 0 2 0 1 20870.0800 0.2612 0.050 0.0702 0.22 : 3 0 3 0 3 2 0 2 0 2 20870.0800 0.0587 0.050 0.0702 0.32 : 3 0 3 0 4 2 0 2 0 3 20870.0800 -0.0111 0.050 0.0702 0.46 : 3 1 3 0 2 2 0 2 0 1 24682.0700 0.0320 0.050 : 3 1 3 0 3 2 0 2 0 2 24682.5000 -0.0615 0.050 0.0378 0.41 : 3 1 3 0 4 2 0 2 0 3 24682.5000 0.1064 0.050 0.0378 0.59 : 3 0 3 0 2 2 1 2 0 1 15850.5400 -0.620 UNFITTD 15851.1607 : 3 0 3 0 4 2 1 2 0 3 15850.5400 -0.571 UNFITTD 15851.1120 : 3 1 2 0 4 3 0 3 0 4 10787.9600 0.503 UNFITTD 10787.4567 : 4 1 4 0 3 3 1 3 0 2 26049.6900 0.0071 0.050 0.0151 0.25 : 4 1 4 0 4 3 1 3 0 3 26049.6900 0.1232 0.050 0.0151 0.33 : 4 1 4 0 5 3 1 3 0 4 26049.6900 -0.0633 0.050 0.0151 0.42 : 4 0 4 0 3 3 0 3 0 2 27248.1900 0.0659 0.050 -0.0110 0.25 : 4 0 4 0 4 3 0 3 0 3 27248.1900 -0.0053 0.050 -0.0110 0.33 : 4 0 4 0 5 3 0 3 0 4 27248.1900 -0.0603 0.050 -0.0110 0.43 : 4 1 4 0 3 3 0 3 0 2 29862.0300 0.1279 0.050 -0.0042 0.25 : 4 1 4 0 4 3 0 3 0 3 29862.0300 -0.0770 0.050 -0.0042 0.33 : 4 1 4 0 5 3 0 3 0 4 29862.0300 -0.0257 0.050 -0.0042 0.42 : 4 0 4 0 3 3 1 3 0 2 23435.9000 -0.0048 0.050 0.0582 0.25 : 4 0 4 0 4 3 1 3 0 3 23435.9000 0.2449 0.050 0.0582 0.33 : 4 0 4 0 5 3 1 3 0 4 23435.9000 -0.0479 0.050 0.0582 0.43 : 5 1 5 0 4 4 1 4 0 3 32349.6200 0.0149 0.050 0.0081 0.27 : 5 1 5 0 5 4 1 4 0 4 32349.6200 0.0639 0.050 0.0081 0.33 : 5 1 5 0 6 4 1 4 0 5 32349.6200 -0.0417 0.050 0.0081 0.41 : 5 0 5 0 4 4 0 4 0 3 33326.9400 -0.0432 0.050 -0.0820 0.27 : 5 0 5 0 5 4 0 4 0 4 33326.9400 -0.0698 0.050 -0.0820 0.33 : 5 0 5 0 6 4 0 4 0 5 33326.9400 -0.1174 0.050 -0.0820 0.41 : 5 1 5 0 4 4 0 4 0 3 34963.4200 0.0370 0.050 -0.0249 0.27 : 5 1 5 0 5 4 0 4 0 4 34963.4200 -0.0477 0.050 -0.0249 0.33 : 5 1 5 0 6 4 0 4 0 5 34963.4200 -0.0470 0.050 -0.0249 0.41 : 5 0 5 0 4 4 1 4 0 3 30713.1000 -0.1053 0.050 -0.0891 0.27 : 5 0 5 0 5 4 1 4 0 4 30713.1000 0.0018 0.050 -0.0891 0.33 : 5 0 5 0 6 4 1 4 0 5 30713.1000 -0.1521 0.050 -0.0891 0.41 ! IFPAN MMW, E-state, aR-types : 26 0 26 1 26 25 0 25 1 25 158894.5057 -0.647 UNFITTD 158895.1533 : 26 1 26 1 26 25 1 25 1 25 158894.5057 -0.647 UNFITTD 158895.1528 : 30 0 30 1 30 29 0 29 1 29 182888.1095 -0.562 UNFITTD 182888.6722 : 31 0 31 1 31 30 0 30 1 30 188886.0075 -0.556 UNFITTD 188886.5645 : 32 0 32 1 32 31 0 31 1 31 194883.7328 -0.513 UNFITTD 194884.2459 : 35 0 35 1 35 34 0 34 1 34 212875.4516 -0.497 UNFITTD 212875.9495 : 37 0 37 1 37 36 0 36 1 36 224868.7673 -0.461 UNFITTD 224869.2286 / 46 0 46 1 46 45 0 45 1 45 278825.4319 -0.1531 0.050 : 49 0 49 1 49 48 0 48 1 48 296805.4926 -0.0977 0.050 : 53 0 53 1 53 52 0 52 1 52 320774.1940 0.0063 0.050 ! : 25 1 24 1 25 24 1 23 1 24 158664.9577 -0.275 UNFITTD 158665.2334 : 25 2 24 1 25 24 2 23 1 24 158664.9577 -0.194 UNFITTD 158665.1523 / 29 1 28 1 29 28 1 27 1 28 182653.0918 -0.1576 0.050 -0.1556 0.50 : 29 2 28 1 29 28 2 27 1 28 182653.0918 -0.1534 0.050 -0.1556 0.50 / 30 1 29 1 30 29 1 28 1 29 188649.8926 -0.1784 0.050 -0.1775 0.50 : 30 2 29 1 30 29 2 28 1 29 188649.8926 -0.1764 0.050 -0.1775 0.50 : 31 1 30 1 31 30 1 29 1 30 194646.6451 -0.1196 0.050 -0.1192 0.50 : 31 2 30 1 31 30 2 29 1 30 194646.6451 -0.1187 0.050 -0.1192 0.50 : 34 1 33 1 34 33 1 32 1 33 212635.8515 -0.0358 0.050 : 36 1 35 1 36 35 1 34 1 35 224627.5842 -0.0964 0.050 : 45 1 44 1 45 44 1 43 1 44 278578.7373 0.1335 0.050 : 48 1 47 1 48 47 1 46 1 47 296557.1812 0.1341 0.050 : 52 1 51 1 52 51 1 50 1 51 320523.7729 0.1143 0.050 ! : 24 2 22 1 24 23 2 21 1 23 158487.9941 0.0081 0.050 : 25 2 23 1 25 24 2 22 1 24 164476.1402 -0.0246 0.050 : 29 2 27 1 29 28 2 26 1 28 188441.4415 -0.0951 0.050 -0.0094 0.50 : 29 3 27 1 29 28 3 26 1 28 188441.4415 0.0763 0.050 -0.0094 0.50 : 30 2 28 1 30 29 2 27 1 29 194434.3821 -0.0262 0.050 0.0159 0.50 : 30 3 28 1 30 29 3 27 1 29 194434.3821 0.0581 0.050 0.0159 0.50 : 33 2 31 1 33 32 2 30 1 32 212414.4188 0.0725 0.050 0.0774 0.50 : 33 3 31 1 33 32 3 30 1 32 212414.4188 0.0822 0.050 0.0774 0.50 : 35 2 33 1 35 34 2 32 1 34 224401.4339 0.0806 0.050 0.0818 0.50 : 35 3 33 1 35 34 3 32 1 34 224401.4339 0.0829 0.050 0.0818 0.50 / 44 2 42 1 44 43 2 41 1 43 278337.8122 0.1783 0.050 : 47 2 45 1 47 46 2 44 1 46 296312.6748 0.0914 0.050 : 51 2 49 1 51 50 2 48 1 50 320275.0929 -0.0121 0.050 ! : 25 3 23 1 25 24 3 22 1 24 164473.5452 0.1027 0.050 : 23 3 20 1 23 22 3 19 1 22 158555.2755 0.1352 0.050 : 24 3 21 1 24 23 3 20 1 23 164474.6280 0.0670 0.050 : 28 3 25 1 28 27 3 24 1 27 188316.9983 0.0584 0.050 : 29 3 26 1 29 28 3 25 1 28 194295.2335 0.0817 0.050 : 34 3 31 1 34 33 3 30 1 33 224217.2036 -0.0349 0.050 : 23 4 20 1 23 22 4 19 1 22 158387.7737 -0.0036 0.050 : 24 4 21 1 24 23 4 20 1 23 164380.5950 -0.0521 0.050 : 28 4 25 1 28 27 4 24 1 27 188308.9937 0.0388 0.050 : 29 4 26 1 29 28 4 25 1 28 194291.0350 0.0685 0.050 : 34 4 31 1 34 33 4 30 1 33 224217.2036 0.1107 0.050 : 43 3 40 1 43 42 3 39 1 42 278116.1390 0.0556 0.050 0.0558 0.50 : 43 4 40 1 43 42 4 39 1 42 278116.1390 0.0558 0.050 0.0558 0.50 : 46 3 43 1 46 45 3 42 1 45 296083.3170 -0.0540 0.050 : 50 3 47 1 50 49 3 46 1 49 320037.4008 -0.1376 0.050 ! : 26 4 22 1 26 25 4 21 1 25 182658.4674 0.0586 0.050 : 27 4 23 1 27 26 4 22 1 26 188505.7389 0.0009 0.050 : 28 4 24 1 28 27 4 23 1 27 194396.6483 0.0360 0.050 : 31 4 27 1 31 30 4 26 1 30 212206.7789 -0.0197 0.050 : 33 4 29 1 33 32 4 28 1 32 224133.0030 0.0217 0.050 : 23 5 19 1 23 22 5 18 1 22 164094.5442 -0.1305 0.050 : 27 5 23 1 27 26 5 22 1 26 188301.0801 -0.0842 0.050 : 28 5 24 1 28 27 5 23 1 27 194279.6414 -0.0764 0.050 : 31 5 27 1 31 30 5 26 1 30 212186.9428 0.0078 0.050 : 33 5 29 1 33 32 5 28 1 32 224127.2505 0.0014 0.050 : 42 4 38 1 42 41 4 37 1 41 277936.4193 -0.0010 0.050 0.0061 0.50 : 42 5 38 1 42 41 5 37 1 41 277936.4193 0.0132 0.050 0.0061 0.50 : 45 4 41 1 45 44 4 40 1 44 295887.1767 -0.1228 0.050 -0.1220 0.50 : 45 5 41 1 45 44 5 40 1 44 295887.1767 -0.1210 0.050 -0.1220 0.50 : 49 4 45 1 49 48 4 44 1 48 319824.2713 -0.394 UNFITTD 319824.6660 ! : 30 5 25 1 30 29 5 24 1 29 212667.2231 0.1109 0.050 : 32 5 27 1 32 31 5 26 1 31 224340.8377 -0.0474 0.050 : 22 6 17 1 22 21 6 16 1 21 161686.4927 0.448 UNFITTD 161686.0441 : 26 6 21 1 26 25 6 20 1 25 187902.7668 -0.216 UNFITTD 187902.9838 : 27 6 22 1 27 26 6 21 1 26 194104.7993 -0.306 UNFITTD 194105.1056 : 30 6 25 1 30 29 6 24 1 29 212265.3956 -0.219 UNFITTD 212265.6153 : 32 6 27 1 32 31 6 26 1 31 224203.3060 -0.1137 0.050 : 41 6 36 1 41 40 6 35 1 40 277838.6599 0.082 UNFITTD 277838.5774 : 41 5 36 1 41 40 5 35 1 40 277838.6599 -0.496 UNFITTD 277839.1568 / 44 6 39 1 44 43 6 38 1 43 295754.5006 -0.1173 0.050 -0.1576 0.50 : 44 5 39 1 44 43 5 38 1 43 295754.5006 -0.1978 0.050 -0.1576 0.50 : 48 5 43 1 48 47 5 42 1 47 319657.9492 -0.377 UNFITTD 319658.3266 : 48 6 43 1 48 47 6 42 1 47 319657.9492 -0.372 UNFITTD 319658.3212 : 40 6 34 1 40 39 6 33 1 39 277911.2101 -0.0814 0.050 : 43 6 37 1 43 42 6 36 1 42 295742.1753 -0.0603 0.050 ! : 26 7 20 1 26 25 7 19 1 25 191810.2750 0.225 UNFITTD 191810.0497 : 29 7 23 1 29 28 7 22 1 28 211667.3523 -0.297 UNFITTD 211667.6496 : 31 7 25 1 31 30 7 24 1 30 224148.0655 -0.443 UNFITTD 224148.5087 : 40 7 34 1 40 39 7 33 1 39 277895.2519 -0.0779 0.050 : 43 7 37 1 43 42 7 36 1 42 295739.6016 -0.0476 0.050 : 47 7 41 1 47 46 7 40 1 46 319575.2098 -0.126 UNFITTD 319575.3365 : 47 6 41 1 47 46 6 40 1 46 319575.2098 -0.331 UNFITTD 319575.5409 ! : 25 7 18 1 25 24 7 17 1 24 192648.3180 1.020 UNFITTD 192647.2976 : 29 7 22 1 29 28 7 21 1 28 223684.8339 0.955 UNFITTD 223683.8779 : 39 7 32 1 39 38 7 31 1 38 278464.4790 -0.0214 0.050 : 42 7 35 1 42 41 7 34 1 41 295990.1925 0.0555 0.050 : 46 7 39 1 46 45 7 38 1 45 319647.0515 0.213 UNFITTD 319646.8383 ! : 22 8 15 1 22 21 8 14 1 21 162479.1816 0.298 UNFITTD 162478.8827 : 26 8 19 1 26 25 8 18 1 25 193177.7537 0.425 UNFITTD 193177.3282 : 29 8 22 1 29 28 8 21 1 28 215015.1515 0.222 UNFITTD 215014.9291 : 39 8 32 1 39 38 8 31 1 38 278175.8077 -0.1281 0.050 : 42 8 35 1 42 41 8 34 1 41 295932.8737 0.0379 0.050 : 46 8 39 1 46 45 8 38 1 45 319641.2405 0.0194 0.050 ! : 37 8 29 1 37 36 8 28 1 36 276104.4612 -0.911 UNFITTD 276105.3727 : 41 8 33 1 41 40 8 32 1 40 297128.8992 0.0884 0.050 : 44 8 36 1 44 43 8 35 1 43 314241.3668 0.443 UNFITTD 314240.9229 : 45 8 37 1 45 44 8 36 1 44 320062.8792 0.520 UNFITTD 320062.3587 ! : 22 9 14 1 22 21 9 13 1 21 161403.4598 0.255 UNFITTD 161403.2047 : 26 9 18 1 26 25 9 17 1 25 192600.7749 -0.0732 0.050 : 29 9 21 1 29 28 9 20 1 28 215821.3383 -0.0081 0.050 / 30 9 22 1 30 29 9 21 1 29 223340.1303 0.1564 0.050 / 38 9 30 1 38 37 9 29 1 37 278167.7488 0.1686 0.050 : 41 9 33 1 41 40 9 32 1 40 296309.1196 0.292 UNFITTD 296308.8270 : 44 9 36 1 44 43 9 35 1 43 314057.6700 0.437 UNFITTD 314057.2324 : 45 9 37 1 45 44 9 36 1 44 319954.8472 0.517 UNFITTD 319954.3294 ! : 39 9 30 1 39 38 9 29 1 38 296628.2903 0.451 UNFITTD 296627.8386 ! : 29 10 20 1 29 28 10 19 1 28 214856.1627 -0.295 UNFITTD 214856.4585 : 37 10 28 1 37 36 10 27 1 36 275501.0979 0.874 UNFITTD 275500.2237 : 40 10 31 1 40 39 10 30 1 39 295710.8622 1.112 UNFITTD 295709.7493 : 43 10 34 1 43 42 10 33 1 42 314383.2784 1.224 UNFITTD 314382.0537 : 25 10 15 1 25 24 10 14 1 24 183339.3925 -0.0697 0.050 ! : 25 11 15 1 25 24 11 14 1 24 182771.8843 -0.0472 0.050 : 29 11 19 1 29 28 11 18 1 28 213490.6018 -0.1499 0.050 : 37 11 27 1 37 36 11 26 1 36 276229.4513 0.467 UNFITTD 276228.9835 : 25 11 14 1 25 24 11 13 1 24 182531.3419 -0.0690 0.050 : 26 11 15 1 26 25 11 14 1 25 190136.5303 -0.0590 0.050 : 29 11 18 1 29 28 11 17 1 28 213223.0875 -0.447 UNFITTD 213223.5353 ! : 26 12 14 1 26 25 12 13 1 25 189456.6050 -0.0929 0.050 : 29 12 17 1 29 28 12 16 1 28 212232.9433 -0.267 UNFITTD 212233.2107 ! : 26 12 15 1 26 25 12 14 1 25 189716.0511 0.0397 0.050 : 29 12 18 1 29 28 12 17 1 28 212512.2035 -0.1475 0.050 : 42 12 31 1 42 41 12 30 1 41 314172.4390 2.980 UNFITTD 314169.4589 : 43 12 32 1 43 42 12 31 1 42 321671.1294 3.752 UNFITTD 321667.3769 ! : 26 13 13 1 26 25 13 12 1 25 188932.9204 0.0801 0.050 ! : 22 14 8 1 22 21 14 7 1 21 158958.4618 0.0744 0.050 : 26 14 12 1 26 25 14 11 1 25 188514.5584 -0.0385 0.050 / 31 14 17 1 31 30 14 16 1 30 225961.1583 -0.1945 0.050 : 26 14 13 1 26 25 14 12 1 25 188798.2367 -0.0162 0.050 : 40 14 27 1 40 39 14 26 1 39 295735.2089 1.977 UNFITTD 295733.2315 : 43 14 30 1 43 42 14 29 1 42 319668.0737 1.204 UNFITTD 319666.8692 ! : 26 15 11 1 26 25 15 10 1 25 188171.2999 0.0785 0.050 : 27 15 12 1 27 26 15 11 1 26 195572.4711 -0.0829 0.050 : 31 15 16 1 31 30 15 15 1 30 225382.6188 -0.0932 0.050 : 26 15 12 1 26 25 15 11 1 25 188466.5539 0.0079 0.050 : 31 15 17 1 31 30 15 16 1 30 225712.8433 0.0964 0.050 : 38 15 24 1 38 37 15 23 1 37 278881.5156 1.205 UNFITTD 278880.3105 ! : 22 16 7 1 22 21 16 6 1 21 158826.6565 -0.202 UNFITTD 158826.8586 : 27 16 12 1 27 26 16 11 1 26 195566.4836 -0.1128 0.050 : 31 16 16 1 31 30 16 15 1 30 225248.4391 -0.0102 0.050 : 38 16 23 1 38 37 16 22 1 37 277990.6472 1.082 UNFITTD 277989.5649 : 22 16 6 1 22 21 16 5 1 21 158558.1696 0.1057 0.050 : 26 16 10 1 26 25 16 9 1 25 187882.7452 0.0520 0.050 : 27 16 11 1 27 26 16 10 1 26 195252.2231 0.1033 0.050 : 31 16 15 1 31 30 16 14 1 30 224905.7931 -0.0513 0.050 : 43 16 27 1 43 42 16 26 1 42 316126.7569 0.0013 0.050 ! : 26 17 10 1 26 25 17 9 1 25 187951.3574 0.0092 0.050 : 27 17 11 1 27 26 17 10 1 26 195302.8797 -0.1132 0.050 : 38 17 22 1 38 37 17 21 1 37 277263.2054 0.904 UNFITTD 277262.3014 : 26 17 9 1 26 25 17 8 1 25 187635.4164 0.0548 0.050 : 27 17 10 1 27 26 17 9 1 26 194978.4196 0.0265 0.050 : 31 17 14 1 31 30 17 13 1 30 224504.0458 0.0005 0.050 / 38 17 21 1 38 37 17 20 1 37 276880.8323 0.1821 0.050 ! / 22 18 4 1 22 21 18 3 1 21 158255.6849 0.1851 0.050 : 26 18 8 1 26 25 18 7 1 25 187419.6414 0.0506 0.050 / 27 18 9 1 27 26 18 8 1 26 194740.5662 0.1689 0.050 : 31 18 13 1 31 30 18 12 1 30 224159.1167 0.0101 0.050 : 38 18 20 1 38 37 18 19 1 37 276258.9208 0.0518 0.050 : 43 18 25 1 43 42 18 24 1 42 314076.0745 0.859 UNFITTD 314075.2154 : 44 18 26 1 44 43 18 25 1 43 321712.6467 1.155 UNFITTD 321711.4909 : 22 18 5 1 22 21 18 4 1 21 158540.5478 0.229 UNFITTD 158540.3179 : 26 18 9 1 26 25 18 8 1 25 187744.2976 0.1261 0.050 : 27 18 10 1 27 26 18 9 1 26 195073.9538 0.0706 0.050 : 31 18 14 1 31 30 18 13 1 30 224523.3566 0.0621 0.050 ! : 26 19 7 1 26 25 19 6 1 25 187228.3631 -0.0289 0.050 : 27 19 8 1 27 26 19 7 1 26 194530.1757 -0.0235 0.050 : 31 19 12 1 31 30 19 11 1 30 223858.0385 -0.0954 0.050 : 38 19 19 1 38 37 19 18 1 37 275727.3731 -0.0930 0.050 : 44 19 25 1 44 43 19 24 1 43 320878.2115 0.616 UNFITTD 320877.5947 ! : 26 20 6 1 26 25 20 5 1 25 187056.4839 -0.0999 0.050 : 27 20 7 1 27 26 20 6 1 26 194341.8004 -0.1317 0.050 / 31 20 11 1 31 30 20 10 1 30 223591.5491 -0.1773 0.050 : 38 20 18 1 38 37 20 17 1 37 275265.4572 -0.401 UNFITTD 275265.8588 : 41 20 21 1 41 40 20 20 1 40 297636.6685 -0.339 UNFITTD 297637.0079 : 44 20 24 1 44 43 20 23 1 43 320166.5125 0.0347 0.050 / 27 20 8 1 27 26 20 7 1 26 194689.0593 0.1573 0.050 : 31 20 12 1 31 30 20 11 1 30 223971.6164 0.0285 0.050 / 38 20 19 1 38 37 20 18 1 37 275681.0077 -0.1839 0.050 : 41 20 22 1 41 40 20 21 1 40 298057.2365 0.1212 0.050 : 44 20 25 1 44 43 20 24 1 43 320584.8296 0.754 UNFITTD 320584.0748 ! E-state, bR-types : 24 2 22 1 24 23 3 21 1 23 158477.1929 0.0062 0.050 : 25 2 23 1 25 24 3 22 1 24 164470.6510 -0.0356 0.050 : 24 3 22 1 24 23 2 21 1 23 158493.5396 0.0754 0.050 : 25 3 23 1 25 24 2 22 1 24 164479.0047 0.0840 0.050 : 28 4 25 1 28 27 3 24 1 27 188325.6321 0.0654 0.050 : 29 4 26 1 29 28 3 25 1 28 194299.6680 0.0748 0.050 : 23 3 20 1 23 22 4 19 1 22 158181.9576 -0.308 UNFITTD 158182.2660 / 24 3 21 1 24 23 4 20 1 23 164268.8963 -0.1533 0.050 : 28 3 25 1 28 27 4 24 1 27 188300.3405 0.0123 0.050 : 29 3 26 1 29 28 4 25 1 28 194286.6021 0.0771 0.050 : 28 5 24 1 28 27 4 23 1 27 194541.4953 0.206 UNFITTD 194541.2888 : 31 5 27 1 31 30 4 26 1 30 212229.6294 0.0450 0.050 : 33 5 29 1 33 32 4 28 1 32 224139.3590 0.0514 0.050 : 23 4 19 1 23 22 5 18 1 22 161731.0607 -0.951 UNFITTD 161732.0127 : 27 4 23 1 27 26 5 22 1 26 188039.2026 -0.390 UNFITTD 188039.5934 : 28 4 24 1 28 27 5 23 1 27 194134.8196 -0.221 UNFITTD 194135.0413 : 31 4 27 1 31 30 5 26 1 30 212164.1148 -0.0344 0.050 : 33 4 29 1 33 32 5 28 1 32 224120.9164 -0.0062 0.050 : 25 6 20 1 25 24 5 19 1 24 191925.3997 0.0247 0.050 : 26 6 21 1 26 25 5 20 1 25 194740.5663 0.360 UNFITTD 194740.2060 : 32 6 27 1 32 31 5 26 1 31 224516.8696 0.0724 0.050 : 41 6 36 1 41 40 5 35 1 40 277839.6642 -0.1144 0.050 : 30 5 25 1 30 29 6 24 1 29 211714.4132 -0.661 UNFITTD 211715.0742 : 32 5 27 1 32 31 6 26 1 31 224027.1570 -0.350 UNFITTD 224027.5078 : 40 7 34 1 40 39 6 33 1 39 277930.3510 -0.0329 0.050 : 43 7 37 1 43 42 6 36 1 42 295745.1154 -0.0574 0.050 : 28 6 22 1 28 27 7 21 1 27 194003.9414 0.0353 0.050 : 30 6 24 1 30 29 7 23 1 29 213206.4667 -1.209 UNFITTD 213207.6762 : 40 6 34 1 40 39 7 33 1 39 277876.1573 -0.0800 0.050 : 43 6 37 1 43 42 7 36 1 42 295736.6383 -0.0736 0.050 : 39 8 32 1 39 38 7 31 1 38 278865.6741 0.1146 0.050 : 42 8 35 1 42 41 7 34 1 41 296063.5822 0.1195 0.050 : 46 8 39 1 46 45 7 38 1 45 319653.5990 0.1150 0.050 : 46 7 39 1 46 45 8 38 1 45 319634.6370 0.0615 0.050 : 42 7 35 1 42 41 8 34 1 41 295859.5721 0.0620 0.050 : 39 7 32 1 39 38 8 31 1 38 277774.7388 -0.1380 0.050 : 45 9 37 1 45 44 8 36 1 44 320207.4324 0.373 UNFITTD 320207.0590 ! E-state, bQ-types : 31 2 29 1 31 31 1 30 1 31 163798.3217 7.160 UNFITTD 163791.1614 : 35 2 33 1 35 35 1 34 1 35 186892.6460 7.816 UNFITTD 186884.8299 : 36 2 34 1 36 36 1 35 1 36 192659.9607 7.992 UNFITTD 192651.9685 ! : 36 6 31 1 36 36 5 32 1 36 162946.0723 0.718 UNFITTD 162945.3539 : 45 6 40 1 45 45 5 41 1 45 215948.0795 0.0147 0.050 : 38 6 32 1 38 38 5 33 1 38 163525.9796 0.1367 0.050 : 42 6 36 1 42 42 5 37 1 42 187636.4752 -0.0230 0.050 : 43 6 37 1 43 43 5 38 1 43 193597.3685 -0.0544 0.050 ! : 42 7 36 1 42 42 6 37 1 42 187641.6815 -0.0203 0.050 : 43 7 37 1 43 43 6 38 1 43 193600.1882 -0.0083 0.050 ! : 17 13 5 1 17 17 12 6 1 17 164078.8237 0.0671 0.050 : 18 13 6 1 18 18 12 7 1 18 163907.6478 0.0128 0.050 : 19 13 7 1 19 19 12 8 1 19 163708.0193 0.1477 0.050 : 20 13 8 1 20 20 12 9 1 20 163476.1596 0.0225 0.050 : 21 13 9 1 21 21 12 10 1 21 163208.8572 0.0306 0.050 : 22 13 10 1 22 22 12 11 1 22 162901.9867 -0.0404 0.050 : 23 13 11 1 23 23 12 12 1 23 162551.3526 -0.1248 0.050 : 21 13 8 1 21 21 12 9 1 21 163769.3278 -0.0596 0.050 : 22 13 9 1 22 22 12 10 1 22 163451.4298 0.0180 0.050 : 23 13 10 1 23 23 12 11 1 23 163089.3951 -0.0235 0.050 : 24 13 11 1 24 24 12 12 1 24 162678.7060 -0.0554 0.050 : 25 13 12 1 25 25 12 13 1 25 162214.3984 0.0685 0.050 : 26 13 13 1 26 26 12 14 1 26 161690.5224 0.0501 0.050 ! : 24 15 10 1 24 24 14 11 1 24 189453.1974 -0.0290 0.050 : 25 15 11 1 25 25 14 12 1 25 189157.2268 -0.1235 0.050 : 26 15 12 1 26 26 14 13 1 26 188825.6342 -0.0092 0.050 : 27 15 13 1 27 27 14 14 1 27 188454.7870 -0.0786 0.050 : 29 15 15 1 29 29 14 16 1 29 187581.6919 -0.1088 0.050 : 30 15 16 1 30 30 14 17 1 30 187071.6346 0.0496 0.050 : 23 15 8 1 23 23 14 9 1 23 190222.2272 -0.1075 0.050 : 24 15 9 1 24 24 14 10 1 24 189948.2463 -0.0170 0.050 : 25 15 10 1 25 25 14 11 1 25 189640.9985 -0.0453 0.050 : 26 15 11 1 26 26 14 12 1 26 189297.6608 -0.0074 0.050 / 29 15 14 1 29 29 14 15 1 29 188017.0129 0.1873 0.050 : 30 15 15 1 30 30 14 16 1 30 187493.8868 0.306 UNFITTD 187493.5802 : 31 15 16 1 31 31 14 17 1 31 186915.3012 0.361 UNFITTD 186914.9396 ! : 26 17 10 1 26 26 16 11 1 26 215928.0557 -0.0099 0.050 : 27 17 11 1 27 27 16 12 1 27 215664.4891 0.0268 0.050 : 28 17 12 1 28 28 16 13 1 28 215372.6687 -0.0072 0.050 : 29 17 13 1 29 29 16 14 1 29 215050.6023 0.1305 0.050 : 31 17 15 1 31 31 16 16 1 31 214305.1996 0.0783 0.050 : 32 17 16 1 32 32 16 17 1 32 213876.7007 -0.0074 0.050 : 33 17 17 1 33 33 16 18 1 33 213407.2498 -0.0546 0.050 : 34 17 18 1 34 34 16 19 1 34 212893.6704 -0.0904 0.050 : 36 17 20 1 36 36 16 21 1 36 211719.9856 -0.360 UNFITTD 211720.3464 : 28 17 11 1 28 28 16 12 1 28 215793.3916 -0.0630 0.050 : 29 17 12 1 29 29 16 13 1 29 215460.4182 -0.0644 0.050 : 30 17 13 1 30 30 16 14 1 30 215094.3182 -0.0571 0.050 : 31 17 14 1 31 31 16 15 1 31 214692.5931 0.0170 0.050 : 32 17 15 1 32 32 16 16 1 32 214252.3972 0.0509 0.050 : 33 17 16 1 33 33 16 17 1 33 213770.8196 0.0766 0.050 ! nominal cR-types : 16 8 8 1 16 15 7 8 1 15 213894.2583 0.542 UNFITTD 213893.7163 : 16 8 9 1 16 15 7 9 1 15 213316.9700 0.651 UNFITTD 213316.3186 : 23 9 14 1 23 22 8 14 1 22 275303.0701 -0.0996 0.050 : 14 10 5 1 14 13 9 5 1 13 225781.2169 0.910 UNFITTD 225780.3063 : 21 10 11 1 21 20 9 11 1 20 275815.1132 0.0822 0.050 : 21 10 12 1 21 20 9 12 1 20 275383.1779 0.0488 0.050 / 24 10 14 1 24 23 9 14 1 23 296328.7151 -0.1794 0.050 : 27 10 17 1 27 26 9 17 1 26 315860.3211 -0.0378 0.050 : 27 10 18 1 27 26 9 18 1 26 315707.0583 -0.469 UNFITTD 315707.5273 : 12 11 1 1 12 11 10 1 1 11 225192.2640 0.870 UNFITTD 225191.3931 : 12 11 2 1 12 11 10 2 1 11 224625.4700 0.887 UNFITTD 224624.5822 : 25 11 15 1 25 24 10 15 1 24 316723.0610 -0.249 UNFITTD 316723.3109 : 23 12 12 1 23 22 11 12 1 22 316399.1679 -0.0351 0.050 : 23 12 12 1 23 22 11 12 1 22 316399.1687 -0.0343 0.050 / 24 12 13 1 24 23 11 13 1 23 323422.5641 -0.1743 0.050 : 21 13 9 1 21 20 12 9 1 20 315548.1957 0.1490 0.050 : 21 13 8 1 21 20 12 8 1 20 315891.1212 0.319 UNFITTD 315890.8016 : 22 13 10 1 22 21 12 10 1 21 322663.9305 0.0378 0.050 / 22 13 9 1 22 21 12 9 1 21 322986.6552 0.1552 0.050 : 20 14 6 1 20 19 13 6 1 19 321980.2638 0.267 UNFITTD 321979.9960 : 20 14 7 1 20 19 13 7 1 19 321644.4441 0.1391 0.050 -------------------------------------------------------------------------------------========= 84 Lines rejected from fit PARAMETERS IN FIT (values truncated and Nlines statistics): 10099 A /MHz 10200.1858(27) 1 20099 B /MHz 4153.3218(11) 2 30099 C /MHz 3000.65088(55) 3 299 DJ /kHz 1.11150(44) 4 1199 DJK /kHz 21.7429(33) 5 2099 DK /kHz -6.8040(72) 6 40199 dJ /kHz 0.41458(23) 7 41099 dK /kHz 13.9111(65) 8 399 HJ /Hz [ 0.] 9 1299 HJK /Hz 0.9008(23) 10 2199 HKJ /Hz -0.160(10) 11 3099 HK /Hz [ 0.] 12 40299 hJ /Hz [ 0.] 13 41199 hJK /Hz 0.4213(18) 14 42099 hK /Hz 2.497(21) 15 200099 Da /MHz 405.331(45) 16 200199 DaJ /MHz -0.248059(81) 17 201099 DaK /MHz -0.09979(14) 18 201199 DaJK /MHz 0.00016298(23) 19 200299 DaJJ /MHz 0.000025193(50) 20 202099 DaKK /MHz -0.00008458(26) 21 201299 DaJJK /MHz -0.00000002176(13) 22 400099 Db /MHz 278.45(10) 23 400199 DbJ /MHz -0.09704(48) 24 400299 DbJJ /MHz 0.00001562(54) 25 110010000 1.5X.a /MHz -6.69(60) 26 110040000 X(b-c)/4 /MHz [-0.23448] 27 110610000 chi.ab /MHz [-0.52] 28 MICROWAVE AVG = 0.001032 MHz, IR AVG = 0.00000 MICROWAVE RMS = 0.086608 MHz, IR RMS = 0.00000 END OF ITERATION 1 OLD, NEW RMS ERROR= 1.73216 1.73216 distinct frequency lines in fit: 212 distinct parameters of fit: 23 lines rejected from fit: 84 MICROWAVE lines fitted lines lines RMS RMS ERROR J range Ka range freq. range total dv=0 dv.ne.0 UNFITTD e>900 v"= 0 14 14 0 10 0 0.056744 1.13487 1 5 0 1 8592 34963 v"= 1 198 198 0 74 0 0.088305 1.76611 17 53 0 20 158256 323423 -------------------------------------------------------------------------------------------- total: 212 212 0 84 0 0.086577 1.73153 NOTE: the RMS values above are for Nlines statistics, but the 'total' values may differ slightly from those in the .FIT file since the o-c values for this evaluation are as rounded in the .FIT. PARAMETERS IN FIT WITH STANDARD ERRORS ON THOSE THAT ARE FITTED: (values rounded and degrees of freedom, Ndegf=Nlines-Nconst, statistics) 10099 A /MHz 10200.1859(50) 1 20099 B /MHz 4153.3218(20) 2 30099 C /MHz 3000.6509(10) 3 299 DJ /kHz 1.11150(80) 4 1199 DJK /kHz 21.7429(60) 5 2099 DK /kHz -6.804(13) 6 40199 dJ /kHz 0.41459(43) 7 41099 dK /kHz 13.911(11) 8 399 HJ /Hz [ 0.] 9 1299 HJK /Hz 0.9009(42) 10 2199 HKJ /Hz -0.160(19) 11 3099 HK /Hz [ 0.] 12 40299 hJ /Hz [ 0.] 13 41199 hJK /Hz 0.4214(33) 14 42099 hK /Hz 2.497(39) 15 200099 Da /MHz 405.331(82) 16 200199 DaJ /MHz -0.24806(14) 17 201099 DaK /MHz -0.09979(26) 18 201199 DaJK /MHz 0.00016298(42) 19 200299 DaJJ /MHz 0.000025193(91) 20 202099 DaKK /MHz -0.00008459(49) 21 201299 DaJJK /MHz -0.00000002177(24) 22 400099 Db /MHz 278.46(19) 23 400199 DbJ /MHz -0.09704(88) 24 400299 DbJJ /MHz 0.00001562(99) 25 110010000 1.5X.a /MHz -6.7(11) 26 110040000 X(b-c)/4 /MHz [-0.23448] 27 110610000 chi.ab /MHz [-0.52] 28 CORRELATION COEFFICIENTS, C.ij: A B C -DJ -DJK -DK -dJ -dK A 1.0000 B 0.5351 1.0000 C 0.0068 -0.1772 1.0000 -DJ -0.3061 -0.9093 0.1380 1.0000 -DJK -0.8423 -0.4655 -0.2810 0.1847 1.0000 -DK -0.8716 -0.2173 0.0296 0.0536 0.6065 1.0000 -dJ -0.2985 -0.8879 0.3690 0.9580 0.1038 0.0965 1.0000 -dK -0.2187 -0.4336 0.8896 0.3598 -0.0207 0.1346 0.5357 1.0000 HJK -0.0529 0.1051 -0.4539 -0.0014 -0.0364 0.3127 -0.0075 -0.4987 HKJ 0.7425 0.3345 0.3091 -0.2102 -0.6712 -0.8175 -0.1929 0.1512 hJK -0.0750 0.1135 -0.8748 -0.0951 0.2676 0.1035 -0.2983 -0.8996 hK -0.0450 -0.2786 -0.4281 0.4719 -0.0125 0.0975 0.4208 -0.3795 Da -0.0515 0.2197 -0.0711 -0.3569 0.0972 0.0520 -0.3421 -0.0915 DaJ -0.0844 -0.3322 0.0967 0.4121 0.0010 0.0431 0.4012 0.1663 DaK 0.1127 -0.0974 0.0292 0.2389 -0.1258 -0.0777 0.2252 0.0181 DaJK 0.0498 0.2737 -0.0637 -0.3525 -0.0082 0.0019 -0.3392 -0.1250 DaJJ 0.1310 0.3936 -0.1185 -0.4674 -0.0290 -0.0761 -0.4565 -0.2029 DaKK -0.1041 -0.0546 0.0055 -0.0169 0.1087 0.0357 -0.0134 0.0473 DaJJK -0.1006 -0.3506 0.0894 0.4260 0.0304 0.0393 0.4121 0.1670 Db -0.0610 0.0089 -0.0800 -0.0119 0.0906 0.0408 -0.0424 -0.0274 DbJ -0.1161 0.1928 0.0090 -0.3252 0.0568 0.2483 -0.2487 -0.0562 DbJJ 0.2315 -0.1170 -0.0283 0.3279 -0.2001 -0.3245 0.2474 0.0063 1.5X.a -0.0204 0.0088 -0.0184 -0.0234 0.0204 0.0218 -0.0227 -0.0221 HJK HKJ hJK hK Da DaJ DaK DaJK HJK 1.0000 HKJ -0.6496 1.0000 hJK 0.5410 -0.4090 1.0000 hK 0.8252 -0.5223 0.4605 1.0000 Da -0.0503 0.0159 0.0367 -0.2244 1.0000 DaJ 0.0336 -0.0843 -0.0606 0.1984 -0.7939 1.0000 DaK 0.0803 -0.0007 0.0005 0.2074 -0.8582 0.5074 1.0000 DaJK -0.0208 0.0552 0.0500 -0.1877 0.7593 -0.9584 -0.4995 1.0000 DaJJ -0.0322 0.1141 0.0690 -0.2072 0.7249 -0.9497 -0.5014 0.8804 DaKK -0.0772 -0.0030 -0.0381 -0.0753 0.2178 0.2066 -0.6288 -0.2880 DaJJK 0.0263 -0.0920 -0.0566 0.2048 -0.7251 0.9456 0.5215 -0.9323 Db -0.0425 -0.0279 0.0097 -0.0364 -0.0124 0.0254 0.0062 -0.0206 DbJ 0.2892 -0.2461 0.1073 0.0073 0.3285 -0.2641 -0.2811 0.2345 DbJJ -0.2454 0.3194 -0.0987 0.0618 -0.3691 0.2876 0.3248 -0.2592 1.5X.a 0.0203 -0.0237 0.0286 0.0030 0.0777 -0.0629 -0.0665 0.0592 DaJJ DaKK DaJJK Db DbJ DbJJ 1.5X.a DaJJ 1.0000 DaKK -0.0714 1.0000 DaJJK -0.9780 0.1106 1.0000 Db -0.0303 0.0034 0.0266 1.0000 DbJ 0.2878 0.1070 -0.2688 -0.5288 1.0000 DbJJ -0.3054 -0.1268 0.2882 0.2711 -0.9322 1.0000 1.5X.a 0.0585 0.0175 -0.0577 -0.2075 0.1379 -0.0889 1.0000 Mean value of |C.ij|, i.ne.j = 0.2353 Mean value of C.ij, i.ne.j = -0.0342 No correlations with absolute value greater than 0.9950 Worst fitted lines (obs-calc/error): 175: -3.9 298: 3.7 201: 3.7 225: -3.7 200: 3.6 322: -3.6 76: 3.6 57: -3.5 219: -3.5 330: -3.5 203: 3.4 150: 3.4 118: -3.2 223: 3.1 149: 3.1 55: -3.1 334: 3.1 235: -3.1 50: -3.1 161: -3.0 331: 3.0 277: 3.0 169: -2.9 336: 2.8 263: -2.8 93: -2.8 270: 2.7 80: 2.7 64: 2.7 63: 2.7 1: 2.7 218: -2.6 99: -2.6 304: 2.6 139: -2.6 209: 2.5 281: -2.5 289: -2.5 106: -2.4 226: 2.4 259: 2.4 59: -2.4 260: 2.3 258: 2.3 249: -2.3 65: 2.3 115: -2.3 195: -2.3 186: -2.3 109: 2.2 175/ 31 14 17 1 31 30 14 16 1 30 225961.1583 -0.1945 0.050 298/ 29 15 14 1 29 29 14 15 1 29 188017.0129 0.1873 0.050 201/ 22 18 4 1 22 21 18 3 1 21 158255.6849 0.1851 0.050 225/ 38 20 19 1 38 37 20 18 1 37 275681.0077 -0.1839 0.050 200/ 38 17 21 1 38 37 17 20 1 37 276880.8323 0.1821 0.050 322/ 24 10 14 1 24 23 9 14 1 23 296328.7151 -0.1794 0.050 76/ 44 2 42 1 44 43 2 41 1 43 278337.8122 0.1783 0.050 57/ 30 1 29 1 30 29 1 28 1 29 188649.8926 -0.1784 0.050 -0.1775 0.50 219/ 31 20 11 1 31 30 20 10 1 30 223591.5491 -0.1773 0.050 330/ 24 12 13 1 24 23 11 13 1 23 323422.5641 -0.1743 0.050 _____________________________________ __________________________________________/ SPFIT output reformatted with PIFORM