Rotational, Centrifugal Distortion, Internal Rotation Calculation (V2.5e) Holger Hartwig 08-Nov-96 (hartwig@phc.uni-kiel.de) Please cite: H.Hartwig and H.Dreizler, Z.Naturforsch, 51a (1996) 923. Calculation date and time: Type help now for the list of parameters : __ ||___________________________________________________________________________ || | || Methyl carbamate + H2O MECB1W | || | || All lines fitted as absolute frequencies with | || resolved N nuclear quadrupole hyperfine structure | ||___________________________________________________________________________| || nzyk 100 print 4 eval 0 dfreq 0 orger 0 ints 0 maxm 8 woods 33 ndata 0 nfold 3 spin 2 ntop 1 adjf 0 maxvm 0 aprint 10 xprint 4 ncycl 100 svderr 0 fitscl 0 reduct 0 rofit .0000000D+00 eps .1000000D-11 defer .5000000D-05 weigf .0000000D+00 convg .9990000D+00 lambda .1000000D-04 freq_l .1000000D+01 freq_h .3000000D+02 limit .5000000D+00 temp .2730000D+03 Using Watson A Reduction assumed sizeb 1 \\ set (adj or 1) \\ adj 1: adjust F according to rho, beta and gamma new adj : 1 BJ 1.565564772 BK 6.491210998 B- 0.141755935 DJ 0.474000E-6 DJK 0.765000E-6 dj 0.098000E-6 chi_z 0.001627467 chi_- 0.006407200 \F 166.611005909 V1n 11304.467862 rho 0.032000000 beta 0.260000000 \F0 162.328661977 \delta 0.898135674 fit 0.1D+00 0.1D+01 BJ 1.00 fit 0.1D+00 0.1D+01 BK 1.00 fit 0.1D+00 0.1D+01 B- 1.00 fit 0.1D+00 0.1D+01 DJ 1.00 fit 0.1D+00 0.1D+01 DJK 1.00 fit 0.1D+00 0.1D+01 dj 1.00 fit 0.1D+00 0.1D+01 chi_z 1.00 fit 0.1D+00 0.1D+01 chi_- 1.00 dqu 0.1D+00 0.1D+01 V1n_1 1.00 dqu 0.1D+00 0.1D+01 rho_1 1.00 dqu 0.1D+00 0.1D+01 beta_1 1.00 /A S 0 /E S 1 V 0 ndata 198 Data Points 198 Splittings 0 Effective Data Points 197.0 \\ Maximal K = J = 5 \\ B= 1 adj= 1 \\ (1) calculate torsional integrals \\ (32)use torsional integrals in rigid rotor H_rr Sigma:0.219141D-03 Sigma/OldSigma:0.000000 conv: 1 J K- K+ J K- K+ F F Sym calc/GHz diff/MHz obs/GHz 1: 1 0 1 0 0 0 F 0 2 /A 3.1303641 -0.0106 3.1303535 Err 0.5D-05 /A -/A 2: 1 0 1 0 0 0 F 4 2 /A 3.1310965 -0.0084 3.1310881 Err 0.5D-05 /A -/A 3: 1 0 1 0 0 0 F 2 2 /A 3.1315847 -0.0147 3.1315700 Err 0.5D-05 /A -/A 4: 1 K 0 0 K 0 F 0 2 /E 3.1302850 0.0037 3.1302887 Err 0.5D-05 /E -/E 5: 1 K 0 0 K 0 F 4 2 /E 3.1310173 0.0092 3.1310265 Err 0.5D-05 /E -/E 6: 1 K 0 0 K 0 F 2 2 /E 3.1315056 0.0031 3.1315087 Err 0.5D-05 /E -/E 7: 2 1 2 1 1 1 F 2 2 /A 5.9772064 -0.0064 5.9772000 Err 0.5D-05 /A -/A 8: 2 1 2 1 1 1 F 6 4 /A 5.9786406 -0.0033 5.9786373 Err 0.5D-05 /A -/A 9: 2 1 2 1 1 1 F 2 0 /A 5.9789986 -0.0045 5.9789941 Err 0.5D-05 /A -/A 10: 2 1 2 1 1 1 F 4 2 /A 5.9792150 -0.0053 5.9792097 Err 0.5D-05 /A -/A 11: 2 1 2 1 1 1 F 4 4 /A 5.9799318 -0.0071 5.9799247 Err 0.5D-05 /A -/A 12: 2 K 1 1 K 1 F 2 2 /E 5.9779816 0.1261 5.9781077 Err 0.5D-05 /E -/E 13: 2 K 1 1 K 1 F 6 4 /E 5.9794067 0.1266 5.9795333 Err 0.5D-05 /E -/E 14: 2 K 1 1 K 1 F 2 0 /E 5.9797526 0.1261 5.9798787 Err 0.5D-05 /E -/E 15: 2 K 1 1 K 1 F 4 2 /E 5.9799885 0.1265 5.9801150 Err 0.5D-05 /E -/E 16: 2 K 1 1 K 1 F 4 4 /E 5.9806968 0.1194 5.9808162 Err 0.5D-05 /E -/E 17: 2 0 2 1 0 1 F 2 2 /A 6.2522117 -0.0142 6.2521975 Err 0.5D-05 /A -/A 18: 2 0 2 1 0 1 F 6 4 /A 6.2530154 -0.0166 6.2529988 Err 0.5D-05 /A -/A 19: 2 0 2 1 0 1 F 4 2 /A 6.2530948 -0.0168 6.2530780 Err 0.5D-05 /A -/A 20: 2 0 2 1 0 1 F 2 0 /A 6.2534323 -0.0291 6.2534032 Err 0.5D-05 /A -/A 21: 2 0 2 1 0 1 F 4 4 /A 6.2535830 -0.0177 6.2535653 Err 0.5D-05 /A -/A 22: 2 K 0 1 K 0 F 2 2 /E 6.2520576 0.0115 6.2520691 Err 0.5D-05 /E -/E 23: 2 K 0 1 K 0 F 6 4 /E 6.2528612 0.0130 6.2528742 Err 0.5D-05 /E -/E 24: 2 K 0 1 K 0 F 2 0 /E 6.2532782 0.0092 6.2532874 Err 0.5D-05 /E -/E 25: 2 K 0 1 K 0 F 4 4 /E 6.2534289 0.0204 6.2534493 Err 0.5D-05 /E -/E 26: 2 1 1 1 1 0 F 2 0 /A 6.5444630 -0.0297 6.5444333 Err 0.5D-05 /A -/A 27: 2 1 1 1 1 0 F 4 4 /A 6.5450758 -0.0186 6.5450572 Err 0.5D-05 /A -/A 28: 2 1 1 1 1 0 F 6 4 /A 6.5458439 -0.0275 6.5458164 Err 0.5D-05 /A -/A 29: 2 1 1 1 1 0 F 4 2 /A 6.5462809 -0.0318 6.5462491 Err 0.5D-05 /A -/A 30: 2 1 1 1 1 0 F 2 2 /A 6.5474757 -0.0290 6.5474467 Err 0.5D-05 /A -/A 31: 2 K -1 1 K -1 F 2 0 /E 6.5434126 -0.1028 6.5433098 Err 0.5D-05 /E -/E 32: 2 K -1 1 K -1 F 4 4 /E 6.5440144 -0.1088 6.5439056 Err 0.5D-05 /E -/E 33: 2 K -1 1 K -1 F 6 4 /E 6.5447815 -0.1062 6.5446753 Err 0.5D-05 /E -/E 34: 2 K -1 1 K -1 F 4 2 /E 6.5452110 -0.1107 6.5451003 Err 0.5D-05 /E -/E 35: 2 K -1 1 K -1 F 2 2 /E 6.5464042 -0.1008 6.5463034 Err 0.5D-05 /E -/E 36: 3 1 3 2 1 2 F 8 6 /A 8.9623939 -0.0078 8.9623861 Err 0.5D-05 /A -/A 37: 3 1 3 2 1 2 F 6 4 /A 8.9625914 -0.0091 8.9625823 Err 0.5D-05 /A -/A 38: 3 1 3 2 1 2 F 4 2 /A 8.9625901 -0.0078 8.9625823 Err 0.5D-05 /A -/A 39: 3 K 1 2 K 1 F 8 6 /E 8.9624938 0.0544 8.9625482 Err 0.5D-05 /E -/E 40: 3 K 1 2 K 1 F 4 2 /E 8.9626896 0.0554 8.9627450 Err 0.5D-05 /E -/E 41: 3 K 1 2 K 1 F 6 4 /E 8.9626921 0.0529 8.9627450 Err 0.5D-05 /E -/E 42: 3 0 3 2 0 2 F 4 4 /A 9.3555820 -0.0260 9.3555560 Err 0.5D-05 /A -/A 43: 3 0 3 2 0 2 F 8 6 /A 9.3563799 -0.0233 9.3563566 Err 0.5D-05 /A -/A 44: 3 0 3 2 0 2 F 4 2 /A 9.3564651 -0.0239 9.3564412 Err 0.5D-05 /A -/A 45: 3 0 3 2 0 2 F 6 4 /A 9.3564699 -0.0218 9.3564481 Err 0.5D-05 /A -/A 46: 3 0 3 2 0 2 F 6 6 /A 9.3570376 -0.0281 9.3570095 Err 0.5D-05 /A -/A 47: 3 K 0 2 K 0 F 4 4 /E 9.3553611 0.0328 9.3553939 Err 0.5D-05 /E -/E 48: 3 K 0 2 K 0 F 8 6 /E 9.3561590 0.0171 9.3561761 Err 0.5D-05 /E -/E 49: 3 K 0 2 K 0 F 4 2 /E 9.3562441 0.0174 9.3562615 Err 0.5D-05 /E -/E 50: 3 K 0 2 K 0 F 6 4 /E 9.3562490 0.0188 9.3562678 Err 0.5D-05 /E -/E 51: 3 K 0 2 K 0 F 6 6 /E 9.3568166 0.0281 9.3568447 Err 0.5D-05 /E -/E 52: 3 2 2 2 2 1 F 4 2 /A 9.3930616 -0.0296 9.3930320 Err 0.5D-05 /A -/A 53: 3 2 2 2 2 1 F 8 6 /A 9.3933522 -0.0249 9.3933273 Err 0.5D-05 /A -/A 54: 3 2 2 2 2 1 F 6 4 /A 9.3938753 -0.0220 9.3938533 Err 0.5D-05 /A -/A 55: 3 K 2 2 K 2 F 4 2 /E 9.4051675 0.3398 9.4055073 Err 0.5D-05 /E -/E 56: 3 K 2 2 K 2 F 8 6 /E 9.4054593 0.3300 9.4057893 Err 0.5D-05 /E -/E 57: 3 K 2 2 K 2 F 6 4 /E 9.4059744 0.3370 9.4063114 Err 0.5D-05 /E -/E 58: 3 2 1 2 2 0 F 4 2 /A 9.4301659 -0.0324 9.4301335 Err 0.5D-05 /A -/A 59: 3 2 1 2 2 0 F 8 6 /A 9.4304410 -0.0361 9.4304049 Err 0.5D-05 /A -/A 60: 3 2 1 2 2 0 F 6 4 /A 9.4308935 -0.0268 9.4308667 Err 0.5D-05 /A -/A 61: 3 K -2 2 K -2 F 4 2 /E 9.4175999 -0.3052 9.4172947 Err 0.5D-05 /E -/E 62: 3 K -2 2 K -2 F 8 6 /E 9.4178737 -0.3003 9.4175734 Err 0.5D-05 /E -/E 63: 3 K -2 2 K -2 F 6 4 /E 9.4183342 -0.3123 9.4180219 Err 0.5D-05 /E -/E 64: 3 1 2 2 1 1 F 4 2 /A 9.8126665 -0.0461 9.8126204 Err 0.5D-05 /A -/A 65: 3 1 2 2 1 1 F 8 6 /A 9.8128670 -0.0456 9.8128214 Err 0.5D-05 /A -/A 66: 3 1 2 2 1 1 F 6 4 /A 9.8129890 -0.0444 9.8129446 Err 0.5D-05 /A -/A 67: 3 K -1 2 K -1 F 4 2 /E 9.8121250 -0.0204 9.8121046 Err 0.5D-05 /E -/E 68: 3 K -1 2 K -1 F 8 6 /E 9.8123251 -0.0207 9.8123044 Err 0.5D-05 /E -/E 69: 3 K -1 2 K -1 F 6 4 /E 9.8124463 -0.0202 9.8124261 Err 0.5D-05 /E -/E 70: 4 1 4 3 1 3 F 10 8 /A 11.9394796 -0.0081 11.9394715 Err 0.5D-05 /A -/A 71: 4 1 4 3 1 3 F 6 4 /A 11.9395894 -0.0072 11.9395822 Err 0.5D-05 /A -/A 72: 4 1 4 3 1 3 F 8 6 /A 11.9395903 -0.0081 11.9395822 Err 0.5D-05 /A -/A 73: 4 K 1 3 K 1 F 10 8 /E 11.9394192 0.0403 11.9394595 Err 0.5D-05 /E -/E 74: 4 K 1 3 K 1 F 6 4 /E 11.9395290 0.0408 11.9395698 Err 0.5D-05 /E -/E 75: 4 K 1 3 K 1 F 8 6 /E 11.9395300 0.0398 11.9395698 Err 0.5D-05 /E -/E 76: 4 0 4 3 0 3 F 10 8 /A 12.4323153 -0.0259 12.4322894 Err 0.5D-05 /A -/A 77: 4 0 4 3 0 3 F 6 4 /A 12.4323487 -0.0277 12.4323210 Err 0.5D-05 /A -/A 78: 4 0 4 3 0 3 F 8 6 /A 12.4324231 -0.0266 12.4323965 Err 0.5D-05 /A -/A 79: 4 K 0 3 K 0 F 10 8 /E 12.4320393 0.0249 12.4320642 Err 0.5D-05 /E -/E 80: 4 K 0 3 K 0 F 6 4 /E 12.4320726 0.0209 12.4320935 Err 0.5D-05 /E -/E 81: 4 K 0 3 K 0 F 8 6 /E 12.4321471 0.0259 12.4321730 Err 0.5D-05 /E -/E 82: 4 2 3 3 2 2 F 6 4 /A 12.5172268 -0.0365 12.5171903 Err 0.5D-05 /A -/A 83: 4 2 3 3 2 2 F 10 8 /A 12.5172867 -0.0346 12.5172521 Err 0.5D-05 /A -/A 84: 4 2 3 3 2 2 F 8 6 /A 12.5175197 -0.0371 12.5174826 Err 0.5D-05 /A -/A 85: 4 K 2 3 K 2 F 6 4 /E 12.5285073 0.9024 12.5294097 Err 0.5D-05 /E -/E 86: 4 K 2 3 K 2 F 10 8 /E 12.5285736 0.9013 12.5294749 Err 0.5D-05 /E -/E 87: 4 K 2 3 K 2 F 8 6 /E 12.5288212 0.9012 12.5297224 Err 0.5D-05 /E -/E 88: 4 2 2 3 2 1 F 6 4 /A 12.6095074 -0.0493 12.6094581 Err 0.5D-05 /A -/A 89: 4 2 2 3 2 1 F 10 8 /A 12.6095534 -0.0479 12.6095055 Err 0.5D-05 /A -/A 90: 4 2 2 3 2 1 F 8 6 /A 12.6096909 -0.0496 12.6096413 Err 0.5D-05 /A -/A 91: 4 K -2 3 K -2 F 6 4 /E 12.5976031 -0.8615 12.5967416 Err 0.5D-05 /E -/E 92: 4 K -2 3 K -2 F 10 8 /E 12.5976428 -0.8643 12.5967785 Err 0.5D-05 /E -/E 93: 4 K -2 3 K -2 F 8 6 /E 12.5977657 -0.8647 12.5969010 Err 0.5D-05 /E -/E 94: 4 1 3 3 1 2 F 6 4 /A 13.0724053 -0.0600 13.0723453 Err 0.5D-05 /A -/A 95: 4 1 3 3 1 2 F 10 8 /A 13.0724819 -0.0627 13.0724192 Err 0.5D-05 /A -/A 96: 4 1 3 3 1 2 F 8 6 /A 13.0725463 -0.0623 13.0724840 Err 0.5D-05 /A -/A 97: 4 K -1 3 K -1 F 6 4 /E 13.0718817 -0.0048 13.0718769 Err 0.5D-05 /E -/E 98: 4 K -1 3 K -1 F 10 8 /E 13.0719582 -0.0042 13.0719540 Err 0.5D-05 /E -/E 99: 4 K -1 3 K -1 F 8 6 /E 13.0720225 -0.0033 13.0720192 Err 0.5D-05 /E -/E 100: 5 1 5 4 1 4 F 12 10 /A 14.9081568 -0.0092 14.9081476 Err 0.5D-05 /A -/A 101: 5 1 5 4 1 4 F 8 6 /A 14.9082261 -0.0162 14.9082099 Err 0.5D-05 /A -/A 102: 5 1 5 4 1 4 F 10 8 /A 14.9082365 -0.0111 14.9082254 Err 0.5D-05 /A -/A 103: 5 K 1 4 K 1 F 12 10 /E 14.9080240 0.0448 14.9080688 Err 0.5D-05 /E -/E 104: 5 K 1 4 K 1 F 8 6 /E 14.9080932 0.0381 14.9081313 Err 0.5D-05 /E -/E 105: 5 K 1 4 K 1 F 10 8 /E 14.9081037 0.0439 14.9081476 Err 0.5D-05 /E -/E 106: 5 0 5 4 0 4 F 12 10 /A 15.4728907 -0.0264 15.4728643 Err 0.5D-05 /A -/A 107: 5 0 5 4 0 4 F 8 6 /A 15.4729058 -0.0266 15.4728792 Err 0.5D-05 /A -/A 108: 5 0 5 4 0 4 F 10 8 /A 15.4730171 -0.0258 15.4729913 Err 0.5D-05 /A -/A 109: 5 K 0 4 K 0 F 12 10 /E 15.4725738 0.0315 15.4726053 Err 0.5D-05 /E -/E 110: 5 K 0 4 K 0 F 8 6 /E 15.4725890 0.0337 15.4726227 Err 0.5D-05 /E -/E 111: 5 K 0 4 K 0 F 10 8 /E 15.4727003 0.0311 15.4727314 Err 0.5D-05 /E -/E 112: 5 2 4 4 2 3 F 8 6 /A 15.6349464 -0.0291 15.6349173 Err 0.5D-05 /A -/A 113: 5 2 4 4 2 3 F 12 10 /A 15.6349612 -0.0439 15.6349173 Err 0.5D-05 /A -/A 114: 5 2 4 4 2 3 F 10 8 /A 15.6350950 -0.0407 15.6350543 Err 0.5D-05 /A -/A 115: 5 K 2 4 K 2 F 8 6 /E 15.6398559 0.6448 15.6405007 Err 0.5D-05 /E -/E 116: 5 K 2 4 K 2 F 12 10 /E 15.6398732 0.6275 15.6405007 Err 0.5D-05 /E -/E 117: 5 K 2 4 K 2 F 10 8 /E 15.6400156 0.6382 15.6406538 Err 0.5D-05 /E -/E 118: 5 2 3 4 2 2 F 8 6 /A 15.8176956 -0.0852 15.8176104 Err 0.5D-05 /A -/A 119: 5 2 3 4 2 2 F 12 10 /A 15.8176977 -0.0873 15.8176104 Err 0.5D-05 /A -/A 120: 5 2 3 4 2 2 F 10 8 /A 15.8177136 -0.0783 15.8176353 Err 0.5D-05 /A -/A 121: 5 K -2 4 K -2 F 12 10 /E 15.8119905 -0.5948 15.8113957 Err 0.5D-05 /E -/E 122: 5 K -2 4 K -2 F 8 6 /E 15.8119908 -0.5951 15.8113957 Err 0.5D-05 /E -/E 123: 5 1 4 4 1 3 F 8 6 /A 16.3217462 -0.0748 16.3216714 Err 0.5D-05 /A -/A 124: 5 1 4 4 1 3 F 12 10 /A 16.3217877 -0.0733 16.3217144 Err 0.5D-05 /A -/A 125: 5 1 4 4 1 3 F 10 8 /A 16.3218389 -0.0699 16.3217690 Err 0.5D-05 /A -/A 126: 5 K -1 4 K -1 F 8 6 /E 16.3211584 0.0051 16.3211635 Err 0.5D-05 /E -/E 127: 5 K -1 4 K -1 F 12 10 /E 16.3211999 0.0057 16.3212056 Err 0.5D-05 /E -/E 128: 5 K -1 4 K -1 F 10 8 /E 16.3212511 0.0057 16.3212568 Err 0.5D-05 /E -/E 129: 1 1 1 0 0 0 F 0 2 /A 9.4801095 0.1520 9.4802615 Err 0.5D-05 /A -/A 130: 1 1 1 0 0 0 F 4 2 /A 9.4811848 0.1530 9.4813378 Err 0.5D-05 /A -/A 131: 1 1 1 0 0 0 F 2 2 /A 9.4819017 0.1495 9.4820512 Err 0.5D-05 /A -/A 132: 1 K 1 0 K 0 F 0 2 /E 9.4777921 -0.2373 9.4775548 Err 0.5D-05 /E -/E 133: 1 K 1 0 K 0 F 4 2 /E 9.4788548 -0.2385 9.4786163 Err 0.5D-05 /E -/E 134: 1 K 1 0 K 0 F 2 2 /E 9.4795631 -0.2412 9.4793219 Err 0.5D-05 /E -/E 135: 1 1 0 1 0 1 F 2 2 /A 6.6322506 0.1578 6.6324084 Err 0.5D-05 /A -/A 136: 1 1 0 1 0 1 F 2 4 /A 6.6327389 0.1489 6.6328878 Err 0.5D-05 /A -/A 137: 1 1 0 1 0 1 F 4 2 /A 6.6334558 0.1595 6.6336153 Err 0.5D-05 /A -/A 138: 1 1 0 1 0 1 F 2 0 /A 6.6334712 0.1441 6.6336153 Err 0.5D-05 /A -/A 139: 1 1 0 1 0 1 F 4 4 /A 6.6339440 0.1450 6.6340890 Err 0.5D-05 /A -/A 140: 1 1 0 1 0 1 F 0 2 /A 6.6352634 0.1503 6.6354137 Err 0.5D-05 /A -/A 141: 1 K -1 1 K 0 F 2 2 /E 6.6324677 0.0771 6.6325448 Err 0.5D-05 /E -/E 142: 1 K -1 1 K 0 F 2 4 /E 6.6329560 0.0817 6.6330377 Err 0.5D-05 /E -/E 143: 1 K -1 1 K 0 F 4 2 /E 6.6336643 0.0717 6.6337360 Err 0.5D-05 /E -/E 144: 1 K -1 1 K 0 F 4 4 /E 6.6341525 0.0621 6.6342146 Err 0.1D+00 /E -/E 145: 2 1 2 1 0 1 F 6 4 /A 12.3287289 0.1577 12.3288866 Err 0.5D-05 /A -/A 146: 2 1 2 1 0 1 F 2 0 /A 12.3287440 0.1626 12.3289066 Err 0.5D-05 /A -/A 147: 2 1 2 1 0 1 F 4 2 /A 12.3295319 0.1625 12.3296944 Err 0.5D-05 /A -/A 148: 2 K 1 1 K 0 F 6 4 /E 12.3272441 -0.1168 12.3271273 Err 0.5D-05 /E -/E 149: 2 K 1 1 K 0 F 2 0 /E 12.3272597 -0.1137 12.3271460 Err 0.5D-05 /E -/E 150: 2 K 1 1 K 0 F 4 2 /E 12.3280461 -0.1123 12.3279338 Err 0.5D-05 /E -/E 151: 2 1 1 2 0 2 F 4 4 /A 6.9254368 0.1363 6.9255731 Err 0.5D-05 /A -/A 152: 2 1 1 2 0 2 F 4 6 /A 6.9260045 0.1348 6.9261393 Err 0.5D-05 /A -/A 153: 2 1 1 2 0 2 F 6 4 /A 6.9262049 0.1444 6.9263493 Err 0.5D-05 /A -/A 154: 2 1 1 2 0 2 F 4 2 /A 6.9263199 0.1450 6.9264649 Err 0.5D-05 /A -/A 155: 2 1 1 2 0 2 F 2 4 /A 6.9266316 0.1464 6.9267780 Err 0.5D-05 /A -/A 156: 2 1 1 2 0 2 F 6 6 /A 6.9267725 0.1367 6.9269092 Err 0.5D-05 /A -/A 157: 2 1 1 2 0 2 F 2 2 /A 6.9275146 0.1416 6.9276562 Err 0.5D-05 /A -/A 158: 2 K -1 2 K 0 F 4 4 /E 6.9247381 -0.0361 6.9247020 Err 0.5D-05 /E -/E 159: 2 K -1 2 K 0 F 4 6 /E 6.9253057 -0.0470 6.9252587 Err 0.5D-05 /E -/E 160: 2 K -1 2 K 0 F 6 4 /E 6.9255051 -0.0367 6.9254684 Err 0.5D-05 /E -/E 161: 2 K -1 2 K 0 F 2 4 /E 6.9259313 -0.0352 6.9258961 Err 0.5D-05 /E -/E 162: 2 K -1 2 K 0 F 6 6 /E 6.9260728 -0.0382 6.9260346 Err 0.5D-05 /E -/E 163: 2 K -1 2 K 0 F 2 2 /E 6.9268143 -0.0363 6.9267780 Err 0.5D-05 /E -/E 164: 3 0 3 2 1 2 F 6 4 /A 3.2800328 -0.2016 3.2798312 Err 0.5D-05 /A -/A 165: 3 0 3 2 1 2 F 8 6 /A 3.2806663 -0.1945 3.2804718 Err 0.5D-05 /A -/A 166: 3 0 3 2 1 2 F 4 2 /A 3.2811534 -0.2007 3.2809527 Err 0.5D-05 /A -/A 167: 3 K 0 2 K 1 F 6 4 /E 3.2811435 0.1478 3.2812913 Err 0.5D-05 /E -/E 168: 3 K 0 2 K 1 F 8 6 /E 3.2817760 0.1500 3.2819260 Err 0.5D-05 /E -/E 169: 3 1 3 2 0 2 F 4 2 /A 15.0379018 0.1659 15.0380677 Err 0.5D-05 /A -/A 170: 3 1 3 2 0 2 F 8 6 /A 15.0381074 0.1669 15.0382743 Err 0.5D-05 /A -/A 171: 3 1 3 2 0 2 F 6 4 /A 15.0390285 0.1675 15.0391960 Err 0.5D-05 /A -/A 172: 3 K 1 2 K 0 F 4 2 /E 15.0366711 -0.0757 15.0365954 Err 0.5D-05 /E -/E 173: 3 K 1 2 K 0 F 8 6 /E 15.0368767 -0.0770 15.0367997 Err 0.5D-05 /E -/E 174: 3 K 1 2 K 0 F 6 4 /E 15.0377975 -0.0710 15.0377265 Err 0.5D-05 /E -/E 175: 3 1 2 3 0 3 F 6 6 /A 7.3819559 0.1147 7.3820706 Err 0.5D-05 /A -/A 176: 3 1 2 3 0 3 F 4 6 /A 7.3828281 0.1273 7.3829554 Err 0.5D-05 /A -/A 177: 3 1 2 3 0 3 F 6 4 /A 7.3828438 0.1116 7.3829554 Err 0.5D-05 /A -/A 178: 3 1 2 3 0 3 F 8 8 /A 7.3832597 0.1150 7.3833747 Err 0.5D-05 /A -/A 179: 3 1 2 3 0 3 F 4 4 /A 7.3837160 0.1144 7.3838304 Err 0.5D-05 /A -/A 180: 3 K -1 3 K 0 F 6 6 /E 7.3809355 -0.0749 7.3808606 Err 0.5D-05 /E -/E 181: 3 K -1 3 K 0 F 8 6 /E 7.3815813 -0.0660 7.3815153 Err 0.5D-05 /E -/E 182: 3 K -1 3 K 0 F 6 8 /E 7.3815931 -0.0778 7.3815153 Err 0.5D-05 /E -/E 183: 3 K -1 3 K 0 F 4 6 /E 7.3818073 -0.0538 7.3817535 Err 0.5D-05 /E -/E 184: 3 K -1 3 K 0 F 6 4 /E 7.3818233 -0.0698 7.3817535 Err 0.5D-05 /E -/E 185: 3 K -1 3 K 0 F 8 8 /E 7.3822389 -0.0742 7.3821647 Err 0.5D-05 /E -/E 186: 3 K -1 3 K 0 F 4 4 /E 7.3826952 -0.0742 7.3826210 Err 0.5D-05 /E -/E 187: 4 0 4 3 1 3 F 8 6 /A 6.7498645 -0.2153 6.7496492 Err 0.5D-05 /A -/A 188: 4 0 4 3 1 3 F 10 8 /A 6.7505878 -0.2154 6.7503724 Err 0.5D-05 /A -/A 189: 4 0 4 3 1 3 F 6 4 /A 6.7509120 -0.2253 6.7506867 Err 0.5D-05 /A -/A 190: 4 K 0 3 K 1 F 8 6 /E 6.7505985 0.1263 6.7507248 Err 0.5D-05 /E -/E 191: 4 K 0 3 K 1 F 10 8 /E 6.7513215 0.1227 6.7514442 Err 0.5D-05 /E -/E 192: 4 K 0 3 K 1 F 6 4 /E 6.7516456 0.1230 6.7517686 Err 0.5D-05 /E -/E 193: 5 0 5 4 1 4 F 10 8 /A 10.2832914 -0.2375 10.2830539 Err 0.5D-05 /A -/A 194: 5 0 5 4 1 4 F 12 10 /A 10.2839988 -0.2347 10.2837641 Err 0.5D-05 /A -/A 195: 5 0 5 4 1 4 F 8 6 /A 10.2842284 -0.2346 10.2839938 Err 0.5D-05 /A -/A 196: 5 K 0 4 K 1 F 10 8 /E 10.2837687 0.1030 10.2838717 Err 0.5D-05 /E -/E 197: 5 K 0 4 K 1 F 12 10 /E 10.2844761 0.1043 10.2845804 Err 0.5D-05 /E -/E 198: 5 K 0 4 K 1 F 8 6 /E 10.2847056 0.1088 10.2848144 Err 0.5D-05 /E -/E Maximum (obs-calc)/err in line 85 0.0009024 Lines fitted = 198 MICROWAVE RMS = 0.211906 MHz = [(sum(o-c)^2)/n]^(1/2) RMS ERROR = 42.371925 = [(sum((o-c)/err)^2)/n]^(1/2) indep.par: 11 stepw:1.0000 lambda:0.400D-05 cond.no:0.132D+05 ------------------------------------------------------- Iteration : 1 Sigma:0.187118D-03 Sigma/OldSigma:0.853872 conv: 1 Parameters Change BJ 1.565565090 { 0.000000318} BK 6.491211707 { 0.000000709} B- 0.141756451 { 0.000000516} DJ 0.483791E-6 { 0.009791E-6} DJK 0.757594E-6 {-0.007406E-6} dj 0.106278E-6 { 0.008278E-6} chi_z 0.001622394 {-0.000005073} chi_- 0.006411946 { 0.000004746} \F 163.831316133 { derived} V1n 11135.497714 { -168.970148} rho 0.036415416 { 0.004415416} beta 0.211814872 {-0.048185128} \F0 158.843977502 { derived} \epsil 0.000000E-6 { derived} \delta 0.792727349 { derived} beta_1 (1) 0.211814872 -0.048185128 22.749% Max. Change indep.par: 11 stepw:1.0000 lambda:0.160D-05 cond.no:0.139D+05 ------------------------------------------------------- Iteration : 2 Sigma:0.797567D-05 Sigma/OldSigma:0.042624 conv: 1 Parameters Change BJ 1.565565146 { 0.000000056} BK 6.491211085 {-0.000000623} B- 0.141756455 { 0.000000004} DJ 0.484559E-6 { 0.000768E-6} DJK 0.769992E-6 { 0.012398E-6} dj 0.104798E-6 {-0.001480E-6} chi_z 0.001622526 { 0.000000132} chi_- 0.006412131 { 0.000000186} \F 163.315567852 { derived} V1n 11203.672218 { 68.174504} rho 0.036230943 {-0.000184473} beta 0.215352434 { 0.003537562} \F0 158.385409217 { derived} \epsil 0.000000E-6 { derived} \delta 0.801263850 { derived} beta_1 (1) 0.215352434 0.003537562 1.643% Max. Change indep.par: 11 stepw:1.0000 lambda:0.640D-06 cond.no:0.140D+05 ------------------------------------------------------- Iteration : 3 Sigma:0.695855D-05 Sigma/OldSigma:0.872472 conv: 1 Parameters Change BJ 1.565565197 { 0.000000051} BK 6.491211145 { 0.000000061} B- 0.141756323 {-0.000000132} DJ 0.485975E-6 { 0.001416E-6} DJK 0.784806E-6 { 0.014814E-6} dj 0.102209E-6 {-0.002589E-6} chi_z 0.001623251 { 0.000000725} chi_- 0.006412907 { 0.000000775} \F 163.243191248 { derived} V1n 11199.166892 { -4.505326} rho 0.036216243 {-0.000014700} beta 0.215719123 { 0.000366689} \F0 158.318886370 { derived} \epsil 0.000000E-6 { derived} \delta 0.802140988 { derived} dj (1) 0.102209E-6 -0.002589E-6 2.533% Max. Change indep.par: 11 stepw:1.0000 lambda:0.256D-06 cond.no:0.141D+05 ------------------------------------------------------- Iteration : 4 Sigma:0.695855D-05 Sigma/OldSigma:1.000000 conv: 2 Parameters Change BJ 1.565565197 { 0.000000000} BK 6.491211145 { 0.000000000} B- 0.141756323 { 0.000000000} DJ 0.485974E-6 {-0.000001E-6} DJK 0.784784E-6 {-0.000022E-6} dj 0.102211E-6 { 0.000002E-6} chi_z 0.001623250 {-0.000000001} chi_- 0.006412907 { 0.000000000} \F 163.244311431 { derived} V1n 11199.252127 { 0.085234} rho 0.036216153 {-0.000000090} beta 0.215717169 {-0.000001954} \F0 158.319976093 { derived} \epsil 0.000000E-6 { derived} \delta 0.802136317 { derived} DJK (1) 0.784784E-6 -0.000022E-6 0.003% Max. Change indep.par: 11 stepw:1.0000 lambda:0.102D-06 cond.no:0.141D+05 ------------------------------------------------------- Iteration : 5 Sigma:0.695855D-05 Sigma/OldSigma:1.000000 conv: 3 Parameters Change BJ 1.565565197 { 0.000000000} BK 6.491211146 { 0.000000000} B- 0.141756323 { 0.000000000} DJ 0.485974E-6 { 0.000000E-6} DJK 0.784794E-6 { 0.000010E-6} dj 0.102211E-6 { 0.000000E-6} chi_z 0.001623250 { 0.000000000} chi_- 0.006412906 { 0.000000000} \F 163.242927297 { derived} V1n 11199.136145 { -0.115982} rho 0.036216168 { 0.000000015} beta 0.215720707 { 0.000003538} \F0 158.318647721 { derived} \epsil 0.000000E-6 { derived} \delta 0.802144772 { derived} beta_1 (1) 0.215720707 0.000003538 0.002% Max. Change indep.par: 11 stepw:1.0000 lambda:0.102D-06 cond.no:0.141D+05 ########################################################## End at Cycle 5 J K- K+ J K- K+ F F Sym calc/GHz diff/MHz obs/GHz 1: 1 0 1 0 0 0 F 0 2 /A 3.1303583 -0.0048 3.1303535 Err 0.5D-05 /A -/A 2: 1 0 1 0 0 0 F 4 2 /A 3.1310888 -0.0007 3.1310881 Err 0.5D-05 /A -/A 3: 1 0 1 0 0 0 F 2 2 /A 3.1315757 -0.0057 3.1315700 Err 0.5D-05 /A -/A 4: 1 K 0 0 K 0 F 0 2 /E 3.1302931 -0.0044 3.1302887 Err 0.5D-05 /E -/E 5: 1 K 0 0 K 0 F 4 2 /E 3.1310236 0.0029 3.1310265 Err 0.5D-05 /E -/E 6: 1 K 0 0 K 0 F 2 2 /E 3.1315106 -0.0019 3.1315087 Err 0.5D-05 /E -/E 7: 2 1 2 1 1 1 F 2 2 /A 5.9772040 -0.0040 5.9772000 Err 0.5D-05 /A -/A 8: 2 1 2 1 1 1 F 6 4 /A 5.9786398 -0.0025 5.9786373 Err 0.5D-05 /A -/A 9: 2 1 2 1 1 1 F 2 0 /A 5.9789998 -0.0057 5.9789941 Err 0.5D-05 /A -/A 10: 2 1 2 1 1 1 F 4 2 /A 5.9792128 -0.0031 5.9792097 Err 0.5D-05 /A -/A 11: 2 1 2 1 1 1 F 4 4 /A 5.9799312 -0.0065 5.9799247 Err 0.5D-05 /A -/A 12: 2 K 1 1 K 1 F 2 2 /E 5.9781038 0.0039 5.9781077 Err 0.5D-05 /E -/E 13: 2 K 1 1 K 1 F 6 4 /E 5.9795292 0.0041 5.9795333 Err 0.5D-05 /E -/E 14: 2 K 1 1 K 1 F 2 0 /E 5.9798757 0.0030 5.9798787 Err 0.5D-05 /E -/E 15: 2 K 1 1 K 1 F 4 2 /E 5.9801108 0.0042 5.9801150 Err 0.5D-05 /E -/E 16: 2 K 1 1 K 1 F 4 4 /E 5.9808195 -0.0033 5.9808162 Err 0.5D-05 /E -/E 17: 2 0 2 1 0 1 F 2 2 /A 6.2521989 -0.0014 6.2521975 Err 0.5D-05 /A -/A 18: 2 0 2 1 0 1 F 6 4 /A 6.2530005 -0.0017 6.2529988 Err 0.5D-05 /A -/A 19: 2 0 2 1 0 1 F 4 2 /A 6.2530799 -0.0019 6.2530780 Err 0.5D-05 /A -/A 20: 2 0 2 1 0 1 F 2 0 /A 6.2534163 -0.0131 6.2534032 Err 0.5D-05 /A -/A 21: 2 0 2 1 0 1 F 4 4 /A 6.2535668 -0.0015 6.2535653 Err 0.5D-05 /A -/A 22: 2 K 0 1 K 0 F 2 2 /E 6.2520714 -0.0023 6.2520691 Err 0.5D-05 /E -/E 23: 2 K 0 1 K 0 F 6 4 /E 6.2528730 0.0012 6.2528742 Err 0.5D-05 /E -/E 24: 2 K 0 1 K 0 F 2 0 /E 6.2532888 -0.0014 6.2532874 Err 0.5D-05 /E -/E 25: 2 K 0 1 K 0 F 4 4 /E 6.2534393 0.0100 6.2534493 Err 0.5D-05 /E -/E 26: 2 1 1 1 1 0 F 2 0 /A 6.5444324 0.0009 6.5444333 Err 0.5D-05 /A -/A 27: 2 1 1 1 1 0 F 4 4 /A 6.5450431 0.0141 6.5450572 Err 0.5D-05 /A -/A 28: 2 1 1 1 1 0 F 6 4 /A 6.5458128 0.0036 6.5458164 Err 0.5D-05 /A -/A 29: 2 1 1 1 1 0 F 4 2 /A 6.5462484 0.0007 6.5462491 Err 0.5D-05 /A -/A 30: 2 1 1 1 1 0 F 2 2 /A 6.5474456 0.0011 6.5474467 Err 0.5D-05 /A -/A 31: 2 K -1 1 K -1 F 2 0 /E 6.5433117 -0.0019 6.5433098 Err 0.5D-05 /E -/E 32: 2 K -1 1 K -1 F 4 4 /E 6.5439099 -0.0043 6.5439056 Err 0.5D-05 /E -/E 33: 2 K -1 1 K -1 F 6 4 /E 6.5446784 -0.0031 6.5446753 Err 0.5D-05 /E -/E 34: 2 K -1 1 K -1 F 4 2 /E 6.5451056 -0.0053 6.5451003 Err 0.5D-05 /E -/E 35: 2 K -1 1 K -1 F 2 2 /E 6.5463010 0.0024 6.5463034 Err 0.5D-05 /E -/E 36: 3 1 3 2 1 2 F 8 6 /A 8.9623926 -0.0065 8.9623861 Err 0.5D-05 /A -/A 37: 3 1 3 2 1 2 F 6 4 /A 8.9625898 -0.0075 8.9625823 Err 0.5D-05 /A -/A 38: 3 1 3 2 1 2 F 4 2 /A 8.9625890 -0.0067 8.9625823 Err 0.5D-05 /A -/A 39: 3 K 1 2 K 1 F 8 6 /E 8.9625399 0.0083 8.9625482 Err 0.5D-05 /E -/E 40: 3 K 1 2 K 1 F 4 2 /E 8.9627357 0.0093 8.9627450 Err 0.5D-05 /E -/E 41: 3 K 1 2 K 1 F 6 4 /E 8.9627379 0.0071 8.9627450 Err 0.5D-05 /E -/E 42: 3 0 3 2 0 2 F 4 4 /A 9.3555638 -0.0078 9.3555560 Err 0.5D-05 /A -/A 43: 3 0 3 2 0 2 F 8 6 /A 9.3563598 -0.0032 9.3563566 Err 0.5D-05 /A -/A 44: 3 0 3 2 0 2 F 4 2 /A 9.3564448 -0.0036 9.3564412 Err 0.5D-05 /A -/A 45: 3 0 3 2 0 2 F 6 4 /A 9.3564499 -0.0018 9.3564481 Err 0.5D-05 /A -/A 46: 3 0 3 2 0 2 F 6 6 /A 9.3570162 -0.0067 9.3570095 Err 0.5D-05 /A -/A 47: 3 K 0 2 K 0 F 4 4 /E 9.3553794 0.0145 9.3553939 Err 0.5D-05 /E -/E 48: 3 K 0 2 K 0 F 8 6 /E 9.3561755 0.0006 9.3561761 Err 0.5D-05 /E -/E 49: 3 K 0 2 K 0 F 4 2 /E 9.3562604 0.0011 9.3562615 Err 0.5D-05 /E -/E 50: 3 K 0 2 K 0 F 6 4 /E 9.3562655 0.0023 9.3562678 Err 0.5D-05 /E -/E 51: 3 K 0 2 K 0 F 6 6 /E 9.3568319 0.0128 9.3568447 Err 0.5D-05 /E -/E 52: 3 2 2 2 2 1 F 4 2 /A 9.3930371 -0.0051 9.3930320 Err 0.5D-05 /A -/A 53: 3 2 2 2 2 1 F 8 6 /A 9.3933270 0.0003 9.3933273 Err 0.5D-05 /A -/A 54: 3 2 2 2 2 1 F 6 4 /A 9.3938487 0.0046 9.3938533 Err 0.5D-05 /A -/A 55: 3 K 2 2 K 2 F 4 2 /E 9.4055016 0.0057 9.4055073 Err 0.5D-05 /E -/E 56: 3 K 2 2 K 2 F 8 6 /E 9.4057923 -0.0030 9.4057893 Err 0.5D-05 /E -/E 57: 3 K 2 2 K 2 F 6 4 /E 9.4063049 0.0065 9.4063114 Err 0.5D-05 /E -/E 58: 3 2 1 2 2 0 F 4 2 /A 9.4301366 -0.0031 9.4301335 Err 0.5D-05 /A -/A 59: 3 2 1 2 2 0 F 8 6 /A 9.4304109 -0.0060 9.4304049 Err 0.5D-05 /A -/A 60: 3 2 1 2 2 0 F 6 4 /A 9.4308619 0.0048 9.4308667 Err 0.5D-05 /A -/A 61: 3 K -2 2 K -2 F 4 2 /E 9.4172953 -0.0006 9.4172947 Err 0.5D-05 /E -/E 62: 3 K -2 2 K -2 F 8 6 /E 9.4175687 0.0047 9.4175734 Err 0.5D-05 /E -/E 63: 3 K -2 2 K -2 F 6 4 /E 9.4180290 -0.0071 9.4180219 Err 0.5D-05 /E -/E 64: 3 1 2 2 1 1 F 4 2 /A 9.8126190 0.0014 9.8126204 Err 0.5D-05 /A -/A 65: 3 1 2 2 1 1 F 8 6 /A 9.8128198 0.0016 9.8128214 Err 0.5D-05 /A -/A 66: 3 1 2 2 1 1 F 6 4 /A 9.8129414 0.0032 9.8129446 Err 0.5D-05 /A -/A 67: 3 K -1 2 K -1 F 4 2 /E 9.8121065 -0.0019 9.8121046 Err 0.5D-05 /E -/E 68: 3 K -1 2 K -1 F 8 6 /E 9.8123068 -0.0024 9.8123044 Err 0.5D-05 /E -/E 69: 3 K -1 2 K -1 F 6 4 /E 9.8124275 -0.0014 9.8124261 Err 0.5D-05 /E -/E 70: 4 1 4 3 1 3 F 10 8 /A 11.9394784 -0.0069 11.9394715 Err 0.5D-05 /A -/A 71: 4 1 4 3 1 3 F 6 4 /A 11.9395882 -0.0060 11.9395822 Err 0.5D-05 /A -/A 72: 4 1 4 3 1 3 F 8 6 /A 11.9395889 -0.0067 11.9395822 Err 0.5D-05 /A -/A 73: 4 K 1 3 K 1 F 10 8 /E 11.9394538 0.0057 11.9394595 Err 0.5D-05 /E -/E 74: 4 K 1 3 K 1 F 6 4 /E 11.9395635 0.0063 11.9395698 Err 0.5D-05 /E -/E 75: 4 K 1 3 K 1 F 8 6 /E 11.9395645 0.0053 11.9395698 Err 0.5D-05 /E -/E 76: 4 0 4 3 0 3 F 10 8 /A 12.4322929 -0.0035 12.4322894 Err 0.5D-05 /A -/A 77: 4 0 4 3 0 3 F 6 4 /A 12.4323261 -0.0051 12.4323210 Err 0.5D-05 /A -/A 78: 4 0 4 3 0 3 F 8 6 /A 12.4324007 -0.0042 12.4323965 Err 0.5D-05 /A -/A 79: 4 K 0 3 K 0 F 10 8 /E 12.4320596 0.0046 12.4320642 Err 0.5D-05 /E -/E 80: 4 K 0 3 K 0 F 6 4 /E 12.4320928 0.0007 12.4320935 Err 0.5D-05 /E -/E 81: 4 K 0 3 K 0 F 8 6 /E 12.4321675 0.0055 12.4321730 Err 0.5D-05 /E -/E 82: 4 2 3 3 2 2 F 6 4 /A 12.5171927 -0.0024 12.5171903 Err 0.5D-05 /A -/A 83: 4 2 3 3 2 2 F 10 8 /A 12.5172524 -0.0003 12.5172521 Err 0.5D-05 /A -/A 84: 4 2 3 3 2 2 F 8 6 /A 12.5174848 -0.0022 12.5174826 Err 0.5D-05 /A -/A 85: 4 K 2 3 K 2 F 6 4 /E 12.5294094 0.0003 12.5294097 Err 0.5D-05 /E -/E 86: 4 K 2 3 K 2 F 10 8 /E 12.5294756 -0.0007 12.5294749 Err 0.5D-05 /E -/E 87: 4 K 2 3 K 2 F 8 6 /E 12.5297226 -0.0002 12.5297224 Err 0.5D-05 /E -/E 88: 4 2 2 3 2 1 F 6 4 /A 12.6094610 -0.0029 12.6094581 Err 0.5D-05 /A -/A 89: 4 2 2 3 2 1 F 10 8 /A 12.6095070 -0.0015 12.6095055 Err 0.5D-05 /A -/A 90: 4 2 2 3 2 1 F 8 6 /A 12.6096438 -0.0025 12.6096413 Err 0.5D-05 /A -/A 91: 4 K -2 3 K -2 F 6 4 /E 12.5967353 0.0063 12.5967416 Err 0.5D-05 /E -/E 92: 4 K -2 3 K -2 F 10 8 /E 12.5967747 0.0038 12.5967785 Err 0.5D-05 /E -/E 93: 4 K -2 3 K -2 F 8 6 /E 12.5968969 0.0041 12.5969010 Err 0.5D-05 /E -/E 94: 4 1 3 3 1 2 F 6 4 /A 13.0723418 0.0035 13.0723453 Err 0.5D-05 /A -/A 95: 4 1 3 3 1 2 F 10 8 /A 13.0724185 0.0007 13.0724192 Err 0.5D-05 /A -/A 96: 4 1 3 3 1 2 F 8 6 /A 13.0724828 0.0012 13.0724840 Err 0.5D-05 /A -/A 97: 4 K -1 3 K -1 F 6 4 /E 13.0718819 -0.0050 13.0718769 Err 0.5D-05 /E -/E 98: 4 K -1 3 K -1 F 10 8 /E 13.0719585 -0.0045 13.0719540 Err 0.5D-05 /E -/E 99: 4 K -1 3 K -1 F 8 6 /E 13.0720226 -0.0034 13.0720192 Err 0.5D-05 /E -/E 100: 5 1 5 4 1 4 F 12 10 /A 14.9081560 -0.0084 14.9081476 Err 0.5D-05 /A -/A 101: 5 1 5 4 1 4 F 8 6 /A 14.9082252 -0.0153 14.9082099 Err 0.5D-05 /A -/A 102: 5 1 5 4 1 4 F 10 8 /A 14.9082356 -0.0102 14.9082254 Err 0.5D-05 /A -/A 103: 5 K 1 4 K 1 F 12 10 /E 14.9080574 0.0114 14.9080688 Err 0.5D-05 /E -/E 104: 5 K 1 4 K 1 F 8 6 /E 14.9081266 0.0047 14.9081313 Err 0.5D-05 /E -/E 105: 5 K 1 4 K 1 F 10 8 /E 14.9081371 0.0105 14.9081476 Err 0.5D-05 /E -/E 106: 5 0 5 4 0 4 F 12 10 /A 15.4728695 -0.0052 15.4728643 Err 0.5D-05 /A -/A 107: 5 0 5 4 0 4 F 8 6 /A 15.4728845 -0.0053 15.4728792 Err 0.5D-05 /A -/A 108: 5 0 5 4 0 4 F 10 8 /A 15.4729960 -0.0047 15.4729913 Err 0.5D-05 /A -/A 109: 5 K 0 4 K 0 F 12 10 /E 15.4725969 0.0084 15.4726053 Err 0.5D-05 /E -/E 110: 5 K 0 4 K 0 F 8 6 /E 15.4726119 0.0108 15.4726227 Err 0.5D-05 /E -/E 111: 5 K 0 4 K 0 F 10 8 /E 15.4727234 0.0080 15.4727314 Err 0.5D-05 /E -/E 112: 5 2 4 4 2 3 F 8 6 /A 15.6349029 0.0144 15.6349173 Err 0.5D-05 /A -/A 113: 5 2 4 4 2 3 F 12 10 /A 15.6349177 -0.0004 15.6349173 Err 0.5D-05 /A -/A 114: 5 2 4 4 2 3 F 10 8 /A 15.6350512 0.0031 15.6350543 Err 0.5D-05 /A -/A 115: 5 K 2 4 K 2 F 8 6 /E 15.6404856 0.0151 15.6405007 Err 0.5D-05 /E -/E 116: 5 K 2 4 K 2 F 12 10 /E 15.6405031 -0.0024 15.6405007 Err 0.5D-05 /E -/E 117: 5 K 2 4 K 2 F 10 8 /E 15.6406460 0.0078 15.6406538 Err 0.5D-05 /E -/E 118: 5 2 3 4 2 2 F 8 6 /A 15.8176280 -0.0176 15.8176104 Err 0.5D-05 /A -/A 119: 5 2 3 4 2 2 F 12 10 /A 15.8176300 -0.0196 15.8176104 Err 0.5D-05 /A -/A 120: 5 2 3 4 2 2 F 10 8 /A 15.8176456 -0.0103 15.8176353 Err 0.5D-05 /A -/A 121: 5 K -2 4 K -2 F 12 10 /E 15.8113979 -0.0022 15.8113957 Err 0.5D-05 /E -/E 122: 5 K -2 4 K -2 F 8 6 /E 15.8113985 -0.0028 15.8113957 Err 0.5D-05 /E -/E 123: 5 1 4 4 1 3 F 8 6 /A 16.3216666 0.0048 16.3216714 Err 0.5D-05 /A -/A 124: 5 1 4 4 1 3 F 12 10 /A 16.3217083 0.0061 16.3217144 Err 0.5D-05 /A -/A 125: 5 1 4 4 1 3 F 10 8 /A 16.3217594 0.0096 16.3217690 Err 0.5D-05 /A -/A 126: 5 K -1 4 K -1 F 8 6 /E 16.3211652 -0.0017 16.3211635 Err 0.5D-05 /E -/E 127: 5 K -1 4 K -1 F 12 10 /E 16.3212068 -0.0012 16.3212056 Err 0.5D-05 /E -/E 128: 5 K -1 4 K -1 F 10 8 /E 16.3212579 -0.0011 16.3212568 Err 0.5D-05 /E -/E 129: 1 1 1 0 0 0 F 0 2 /A 9.4802652 -0.0037 9.4802615 Err 0.5D-05 /A -/A 130: 1 1 1 0 0 0 F 4 2 /A 9.4813427 -0.0049 9.4813378 Err 0.5D-05 /A -/A 131: 1 1 1 0 0 0 F 2 2 /A 9.4820611 -0.0099 9.4820512 Err 0.5D-05 /A -/A 132: 1 K 1 0 K 0 F 0 2 /E 9.4775527 0.0021 9.4775548 Err 0.5D-05 /E -/E 133: 1 K 1 0 K 0 F 4 2 /E 9.4786160 0.0003 9.4786163 Err 0.5D-05 /E -/E 134: 1 K 1 0 K 0 F 2 2 /E 9.4793246 -0.0027 9.4793219 Err 0.5D-05 /E -/E 135: 1 1 0 1 0 1 F 2 2 /A 6.6324025 0.0059 6.6324084 Err 0.5D-05 /A -/A 136: 1 1 0 1 0 1 F 2 4 /A 6.6328895 -0.0017 6.6328878 Err 0.5D-05 /A -/A 137: 1 1 0 1 0 1 F 4 2 /A 6.6336078 0.0075 6.6336153 Err 0.5D-05 /A -/A 138: 1 1 0 1 0 1 F 2 0 /A 6.6336200 -0.0047 6.6336153 Err 0.5D-05 /A -/A 139: 1 1 0 1 0 1 F 4 4 /A 6.6340948 -0.0058 6.6340890 Err 0.5D-05 /A -/A 140: 1 1 0 1 0 1 F 0 2 /A 6.6354158 -0.0021 6.6354137 Err 0.5D-05 /A -/A 141: 1 K -1 1 K 0 F 2 2 /E 6.6325535 -0.0087 6.6325448 Err 0.5D-05 /E -/E 142: 1 K -1 1 K 0 F 2 4 /E 6.6330404 -0.0027 6.6330377 Err 0.5D-05 /E -/E 143: 1 K -1 1 K 0 F 4 2 /E 6.6337491 -0.0131 6.6337360 Err 0.5D-05 /E -/E 144: 1 K -1 1 K 0 F 4 4 /E 6.6342361 -0.0215 6.6342146 Err 0.1D+00 /E -/E 145: 2 1 2 1 0 1 F 6 4 /A 12.3288937 -0.0071 12.3288866 Err 0.5D-05 /A -/A 146: 2 1 2 1 0 1 F 2 0 /A 12.3289067 -0.0001 12.3289066 Err 0.5D-05 /A -/A 147: 2 1 2 1 0 1 F 4 2 /A 12.3296981 -0.0037 12.3296944 Err 0.5D-05 /A -/A 148: 2 K 1 1 K 0 F 6 4 /E 12.3271216 0.0057 12.3271273 Err 0.5D-05 /E -/E 149: 2 K 1 1 K 0 F 2 0 /E 12.3271353 0.0107 12.3271460 Err 0.5D-05 /E -/E 150: 2 K 1 1 K 0 F 4 2 /E 12.3279249 0.0089 12.3279338 Err 0.5D-05 /E -/E 151: 2 1 1 2 0 2 F 4 4 /A 6.9255711 0.0020 6.9255731 Err 0.5D-05 /A -/A 152: 2 1 1 2 0 2 F 4 6 /A 6.9261374 0.0019 6.9261393 Err 0.5D-05 /A -/A 153: 2 1 1 2 0 2 F 6 4 /A 6.9263407 0.0086 6.9263493 Err 0.5D-05 /A -/A 154: 2 1 1 2 0 2 F 4 2 /A 6.9264521 0.0128 6.9264649 Err 0.5D-05 /A -/A 155: 2 1 1 2 0 2 F 2 4 /A 6.9267683 0.0097 6.9267780 Err 0.5D-05 /A -/A 156: 2 1 1 2 0 2 F 6 6 /A 6.9269071 0.0021 6.9269092 Err 0.5D-05 /A -/A 157: 2 1 1 2 0 2 F 2 2 /A 6.9276493 0.0069 6.9276562 Err 0.5D-05 /A -/A 158: 2 K -1 2 K 0 F 4 4 /E 6.9247067 -0.0047 6.9247020 Err 0.5D-05 /E -/E 159: 2 K -1 2 K 0 F 4 6 /E 6.9252730 -0.0143 6.9252587 Err 0.5D-05 /E -/E 160: 2 K -1 2 K 0 F 6 4 /E 6.9254752 -0.0068 6.9254684 Err 0.5D-05 /E -/E 161: 2 K -1 2 K 0 F 2 4 /E 6.9259021 -0.0060 6.9258961 Err 0.5D-05 /E -/E 162: 2 K -1 2 K 0 F 6 6 /E 6.9260415 -0.0069 6.9260346 Err 0.5D-05 /E -/E 163: 2 K -1 2 K 0 F 2 2 /E 6.9267831 -0.0051 6.9267780 Err 0.5D-05 /E -/E 164: 3 0 3 2 1 2 F 6 4 /A 3.2798316 -0.0004 3.2798312 Err 0.5D-05 /A -/A 165: 3 0 3 2 1 2 F 8 6 /A 3.2804666 0.0052 3.2804718 Err 0.5D-05 /A -/A 166: 3 0 3 2 1 2 F 4 2 /A 3.2809543 -0.0016 3.2809527 Err 0.5D-05 /A -/A 167: 3 K 0 2 K 1 F 6 4 /E 3.2812930 -0.0017 3.2812913 Err 0.5D-05 /E -/E 168: 3 K 0 2 K 1 F 8 6 /E 3.2819269 -0.0009 3.2819260 Err 0.5D-05 /E -/E 169: 3 1 3 2 0 2 F 4 2 /A 15.0380795 -0.0118 15.0380677 Err 0.5D-05 /A -/A 170: 3 1 3 2 0 2 F 8 6 /A 15.0382858 -0.0115 15.0382743 Err 0.5D-05 /A -/A 171: 3 1 3 2 0 2 F 6 4 /A 15.0392081 -0.0121 15.0391960 Err 0.5D-05 /A -/A 172: 3 K 1 2 K 0 F 4 2 /E 15.0365822 0.0132 15.0365954 Err 0.5D-05 /E -/E 173: 3 K 1 2 K 0 F 8 6 /E 15.0367885 0.0112 15.0367997 Err 0.5D-05 /E -/E 174: 3 K 1 2 K 0 F 6 4 /E 15.0377104 0.0161 15.0377265 Err 0.5D-05 /E -/E 175: 3 1 2 3 0 3 F 6 6 /A 7.3820626 0.0080 7.3820706 Err 0.5D-05 /A -/A 176: 3 1 2 3 0 3 F 4 6 /A 7.3829375 0.0179 7.3829554 Err 0.5D-05 /A -/A 177: 3 1 2 3 0 3 F 6 4 /A 7.3829487 0.0067 7.3829554 Err 0.5D-05 /A -/A 178: 3 1 2 3 0 3 F 8 8 /A 7.3833670 0.0077 7.3833747 Err 0.5D-05 /A -/A 179: 3 1 2 3 0 3 F 4 4 /A 7.3838236 0.0068 7.3838304 Err 0.5D-05 /A -/A 180: 3 K -1 3 K 0 F 6 6 /E 7.3808687 -0.0081 7.3808606 Err 0.5D-05 /E -/E 181: 3 K -1 3 K 0 F 8 6 /E 7.3815164 -0.0011 7.3815153 Err 0.5D-05 /E -/E 182: 3 K -1 3 K 0 F 6 8 /E 7.3815250 -0.0097 7.3815153 Err 0.5D-05 /E -/E 183: 3 K -1 3 K 0 F 4 6 /E 7.3817431 0.0104 7.3817535 Err 0.5D-05 /E -/E 184: 3 K -1 3 K 0 F 6 4 /E 7.3817547 -0.0012 7.3817535 Err 0.5D-05 /E -/E 185: 3 K -1 3 K 0 F 8 8 /E 7.3821727 -0.0080 7.3821647 Err 0.5D-05 /E -/E 186: 3 K -1 3 K 0 F 4 4 /E 7.3826292 -0.0082 7.3826210 Err 0.5D-05 /E -/E 187: 4 0 4 3 1 3 F 8 6 /A 6.7496425 0.0067 6.7496492 Err 0.5D-05 /A -/A 188: 4 0 4 3 1 3 F 10 8 /A 6.7503669 0.0055 6.7503724 Err 0.5D-05 /A -/A 189: 4 0 4 3 1 3 F 6 4 /A 6.7506914 -0.0047 6.7506867 Err 0.5D-05 /A -/A 190: 4 K 0 3 K 1 F 8 6 /E 6.7507226 0.0022 6.7507248 Err 0.5D-05 /E -/E 191: 4 K 0 3 K 1 F 10 8 /E 6.7514467 -0.0025 6.7514442 Err 0.5D-05 /E -/E 192: 4 K 0 3 K 1 F 6 4 /E 6.7517711 -0.0025 6.7517686 Err 0.5D-05 /E -/E 193: 5 0 5 4 1 4 F 10 8 /A 10.2830496 0.0043 10.2830539 Err 0.5D-05 /A -/A 194: 5 0 5 4 1 4 F 12 10 /A 10.2837580 0.0061 10.2837641 Err 0.5D-05 /A -/A 195: 5 0 5 4 1 4 F 8 6 /A 10.2839877 0.0061 10.2839938 Err 0.5D-05 /A -/A 196: 5 K 0 4 K 1 F 10 8 /E 10.2838815 -0.0098 10.2838717 Err 0.5D-05 /E -/E 197: 5 K 0 4 K 1 F 12 10 /E 10.2845898 -0.0094 10.2845804 Err 0.5D-05 /E -/E 198: 5 K 0 4 K 1 F 8 6 /E 10.2848195 -0.0051 10.2848144 Err 0.5D-05 /E -/E Maximum (obs-calc)/err in line 119 0.0000196 Lines fitted = 198 MICROWAVE RMS = 0.006898 MHz = [(sum(o-c)^2)/n]^(1/2) RMS ERROR = 1.345467 = [(sum((o-c)/err)^2)/n]^(1/2) RMS deviations (MHz), B and V sorted B V n splittings MHz B V n abs. freq. MHz 1 1 198 0.006744 0.007119 Parameters and Errors BJ 1.565565197 { 0.000000210} BK 6.491211145 { 0.000001022} B- 0.141756323 { 0.000000269} DJ 0.485974E-6 { 0.005484E-6} DJK 0.784784E-6 { 0.044696E-6} dj 0.102211E-6 { 0.005334E-6} chi_z 0.001623250 { 0.000002882} chi_- 0.006412907 { 0.000006566} \F 163.244311431 { derived} V1n 11199.252127 { 19.713192} rho 0.036216153 { 0.000047153} beta 0.215717169 { 0.000454155} \F0 158.319976093 { derived} \delta 0.802136317 { derived} Standard Deviation 0.006959 MHz ------------------------------------- B = 1 Rotational Constants and Errors (in GHz) B_z 8.056776343 0.000001047 B_x 1.707321520 0.000000359 B_y 1.423808874 0.000000323 Ray's kappa -0.91451 Following values are derived from rho, beta, gamma F0(calc) 158.319976093 0.367715841 I_alpha 3.192137104 0.007414095 <(i,x) <(i,y) <(i,z) 44.0410 90.0000 45.9590 d<(i,x) d<(i,y) d<(i,z) 0.0621 0.0000 0.0621 V1n_1 4.468852 kj +/- 0.007866 kj 1.067341 kcal +/- 0.001879 kcal 373.566788 cm +/- 0.6576 cm s= 30.490774 Errors of fitted linear combinations 0.000000210 0.000001022 0.000000269 0.000000005 0.000000045 0.000000005 0.000002882 0.000006566 19.713192216 0.000047153 0.000454155 Correlation Matrix of fitted linear combinations BJ 1.000 BK -0.018 1.000 B- 0.106 -0.144 1.000 DJ 0.871 -0.201 0.197 1.000 DJK 0.197 0.440 -0.151 -0.115 1.000 dj 0.046 -0.102 0.797 0.143 -0.174 1.000 chi_z 0.015 0.051 0.054 0.016 -0.010 0.039 1.000 chi_- 0.030 0.097 0.016 0.014 0.029 0.003 0.230 1.000 V1n_1 0.087 0.187 -0.056 -0.012 -0.001 -0.014 0.034 0.019 1.000 rho_1 -0.019 -0.316 0.165 0.019 -0.028 0.020 -0.050 -0.019 -0.690 1.000 beta_1 -0.102 0.053 -0.085 -0.003 0.028 0.000 0.002 -0.008 -0.703 -0.029 1.000 strongest correlation between 4 and 1 ( 0.8714) Freedom Cofreedom Matrix of linear comb. BJ 0.369 BK 0.998 0.824 B- 0.997 0.995 0.572 DJ 0.435 0.985 0.988 0.370 DJK 0.901 0.923 0.994 0.921 0.728 dj 0.999 0.997 0.603 0.995 0.992 0.585 chi_z 1.000 0.999 0.999 1.000 1.000 1.000 0.970 chi_- 1.000 0.996 1.000 1.000 1.000 1.000 0.974 0.969 V1n_1 0.998 0.991 0.999 1.000 0.999 0.999 1.000 1.000 0.018 rho_1 1.000 0.974 0.993 0.999 0.999 0.999 0.999 1.000 0.142 0.025 beta_1 0.997 0.999 0.998 1.000 0.999 0.999 1.000 1.000 0.137 0.196 0.025 minimum cofreedom between 11 and 9 ( 0.1366) Eigenvalues and Eigenvector Matrix of SVD-FIT 0.216131D-03 -0.004-0.003 0.001 0.000 0.000 0.000-0.001 0.000-0.816 0.396 0.420 0.612323D-03 0.004-0.008 0.008 0.001-0.001 0.001-0.001 0.000-0.014 0.714-0.700 0.722468D-01 0.696-0.042 0.108 0.704 0.010 0.080 0.006 0.007-0.005-0.006 0.000 0.186309D+00 0.192 0.099-0.670-0.007 0.209-0.679-0.027 0.001-0.009-0.003-0.011 0.381731D+00 0.266 0.486 0.200-0.296 0.727 0.174 0.037 0.071-0.003 0.002-0.001 0.761122D+00 0.045-0.122 0.005-0.048 0.134 0.058-0.686-0.699 0.006 0.004 0.006 0.118131D+01 0.114-0.656 0.039-0.162 0.331-0.019 0.547-0.342-0.027-0.032-0.025 0.125308D+01 -0.080 0.551-0.014 0.123-0.243-0.024 0.475-0.624 0.016 0.021 0.015 0.177801D+01 0.106-0.014-0.693-0.078-0.040 0.696 0.053 0.010 0.066 0.070 0.064 0.234579D+01 -0.605-0.004-0.121 0.598 0.478 0.091 0.011 0.006-0.088-0.089-0.093 0.303957D+01 0.094 0.046-0.057-0.097-0.107 0.077-0.014-0.009-0.566-0.565-0.565