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)2 | || | || 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 9 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 \\ adj 1: adjust F according to rho, beta and gamma \\ adj 8: adjust rho according to F0 = 1/(2 I_alpha) new adj : 9 BJ 0.967838757 BK 2.851341706 B- 0.116014717 chi_z 0.001345793 chi_- 0.006215788 \F 161.916883254 V1n 12500.000000 \rho 0.022857503 beta 0.100000000 F0 158.321800000 \delta 0.339833751 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 beta_1 1.00 /A S 0 /E S 1 V 0 ndata 171 Data Points 171 Splittings 0 Effective Data Points 170.0 \\ Maximal K = J = 9 \\ B= 1 adj= 9 \\ (1) calculate torsional integrals \\ (32)use torsional integrals in rigid rotor H_rr Sigma:0.148755D-03 Sigma/OldSigma:0.000000 conv: 1 J K- K+ J K- K+ F F Sym calc/GHz diff/MHz obs/GHz 1: 2 1 2 1 1 1 F 2 2 /A 3.6377838 -0.0013 3.6377825 Err 0.5D-05 /A -/A 2: 2 1 2 1 1 1 F 6 4 /A 3.6391894 0.0008 3.6391902 Err 0.5D-05 /A -/A 3: 2 1 2 1 1 1 F 2 0 /A 3.6396100 -0.0026 3.6396074 Err 0.5D-05 /A -/A 4: 2 1 2 1 1 1 F 4 2 /A 3.6396742 -0.0061 3.6396681 Err 0.5D-05 /A -/A 5: 2 1 2 1 1 1 F 4 4 /A 3.6404046 0.0044 3.6404090 Err 0.5D-05 /A -/A 6: 2 K 1 1 K 1 F 6 4 /E 3.6393364 -0.0075 3.6393289 Err 0.5D-05 /E -/E 7: 2 K 1 1 K 1 F 2 0 /E 3.6397544 -0.0120 3.6397424 Err 0.5D-05 /E -/E 8: 2 K 1 1 K 1 F 4 2 /E 3.6398227 -0.0058 3.6398169 Err 0.5D-05 /E -/E 9: 2 K 1 1 K 1 F 4 4 /E 3.6405514 -0.0051 3.6405463 Err 0.5D-05 /E -/E 10: 2 0 2 1 0 1 F 2 2 /A 3.8564822 0.0094 3.8564916 Err 0.5D-05 /A -/A 11: 2 0 2 1 0 1 F 6 4 /A 3.8571708 0.0110 3.8571818 Err 0.5D-05 /A -/A 12: 2 0 2 1 0 1 F 4 2 /A 3.8572796 0.0115 3.8572911 Err 0.5D-05 /A -/A 13: 2 0 2 1 0 1 F 2 0 /A 3.8574916 0.0264 3.8575180 Err 0.5D-05 /A -/A 14: 2 0 2 1 0 1 F 4 4 /A 3.8576833 0.0241 3.8577074 Err 0.5D-05 /A -/A 15: 2 K 0 1 K 0 F 6 4 /E 3.8571634 -0.0129 3.8571505 Err 0.5D-05 /E -/E 16: 2 K 0 1 K 0 F 4 2 /E 3.8572721 -0.0218 3.8572503 Err 0.5D-05 /E -/E 17: 2 K 0 1 K 0 F 2 0 /E 3.8574841 -0.0186 3.8574655 Err 0.5D-05 /E -/E 18: 2 K 0 1 K 0 F 4 4 /E 3.8576759 -0.0294 3.8576465 Err 0.5D-05 /E -/E 19: 2 1 1 1 1 0 F 6 4 /A 4.1033652 0.0246 4.1033898 Err 0.5D-05 /A -/A 20: 2 1 1 1 1 0 F 4 2 /A 4.1037168 0.0301 4.1037469 Err 0.5D-05 /A -/A 21: 2 K -1 1 K -1 F 2 0 /E 4.1019425 -0.0320 4.1019105 Err 0.5D-05 /E -/E 22: 2 K -1 1 K -1 F 6 4 /E 4.1032064 -0.0306 4.1031758 Err 0.5D-05 /E -/E 23: 2 K -1 1 K -1 F 4 2 /E 4.1035564 -0.0354 4.1035210 Err 0.5D-05 /E -/E 24: 3 1 3 2 1 2 F 8 6 /A 5.4503430 -0.0093 5.4503337 Err 0.5D-05 /A -/A 25: 3 1 3 2 1 2 F 6 4 /A 5.4505250 -0.0133 5.4505117 Err 0.5D-05 /A -/A 26: 3 1 3 2 1 2 F 4 2 /A 5.4505291 -0.0147 5.4505144 Err 0.5D-05 /A -/A 27: 3 K 1 2 K 1 F 8 6 /E 5.4503753 -0.0308 5.4503445 Err 0.5D-05 /E -/E 28: 3 K 1 2 K 1 F 6 4 /E 5.4505575 -0.0260 5.4505315 Err 0.5D-05 /E -/E 29: 3 K 1 2 K 1 F 4 2 /E 5.4505613 -0.0298 5.4505315 Err 0.5D-05 /E -/E 30: 3 0 3 2 0 2 F 4 4 /A 5.7500273 0.0141 5.7500414 Err 0.5D-05 /A -/A 31: 3 0 3 2 0 2 F 8 6 /A 5.7507688 0.0074 5.7507762 Err 0.5D-05 /A -/A 32: 3 0 3 2 0 2 F 4 2 /A 5.7508247 0.0024 5.7508271 Err 0.5D-05 /A -/A 33: 3 0 3 2 0 2 F 6 4 /A 5.7509102 0.0063 5.7509165 Err 0.5D-05 /A -/A 34: 3 K 0 2 K 0 F 4 4 /E 5.7500136 -0.0310 5.7499826 Err 0.5D-05 /E -/E 35: 3 K 0 2 K 0 F 8 6 /E 5.7507551 -0.0340 5.7507211 Err 0.5D-05 /E -/E 36: 3 K 0 2 K 0 F 4 2 /E 5.7508110 -0.0348 5.7507762 Err 0.5D-05 /E -/E 37: 3 K 0 2 K 0 F 6 4 /E 5.7508965 -0.0338 5.7508627 Err 0.5D-05 /E -/E 38: 3 2 2 2 2 1 F 4 2 /A 5.8067021 -0.0204 5.8066817 Err 0.5D-05 /A -/A 39: 3 2 2 2 2 1 F 8 6 /A 5.8069424 -0.0141 5.8069283 Err 0.5D-05 /A -/A 40: 3 2 2 2 2 1 F 6 4 /A 5.8073750 -0.0129 5.8073621 Err 0.5D-05 /A -/A 41: 3 2 1 2 2 0 F 4 2 /A 5.8629832 0.0013 5.8629845 Err 0.5D-05 /A -/A 42: 3 2 1 2 2 0 F 8 6 /A 5.8631961 -0.0084 5.8631877 Err 0.5D-05 /A -/A 43: 3 2 1 2 2 0 F 6 4 /A 5.8635033 -0.0087 5.8634946 Err 0.5D-05 /A -/A 44: 3 2 1 2 2 0 F 4 4 /A 5.8637806 -0.0118 5.8637688 Err 0.5D-05 /A -/A 45: 3 1 2 2 1 1 F 4 2 /A 6.1457409 0.0246 6.1457655 Err 0.5D-05 /A -/A 46: 3 1 2 2 1 1 F 8 6 /A 6.1459404 0.0283 6.1459687 Err 0.5D-05 /A -/A 47: 3 1 2 2 1 1 F 6 4 /A 6.1460508 0.0232 6.1460740 Err 0.5D-05 /A -/A 48: 3 K -1 2 K -1 F 4 2 /E 6.1456894 -0.0533 6.1456361 Err 0.5D-05 /E -/E 49: 3 K -1 2 K -1 F 8 6 /E 6.1458888 -0.0535 6.1458353 Err 0.5D-05 /E -/E 50: 3 K -1 2 K -1 F 6 4 /E 6.1459990 -0.0640 6.1459350 Err 0.5D-05 /E -/E 51: 4 1 4 3 1 3 F 10 8 /A 7.2518889 -0.0275 7.2518614 Err 0.5D-05 /A -/A 52: 4 1 4 3 1 3 F 6 4 /A 7.2519892 -0.0286 7.2519606 Err 0.5D-05 /A -/A 53: 4 1 4 3 1 3 F 8 6 /A 7.2520031 -0.0259 7.2519772 Err 0.5D-05 /A -/A 54: 4 K 1 3 K 1 F 10 8 /E 7.2518959 -0.0504 7.2518455 Err 0.5D-05 /E -/E 55: 4 K 1 3 K 1 F 6 4 /E 7.2519962 -0.0506 7.2519456 Err 0.5D-05 /E -/E 56: 4 K 1 3 K 1 F 8 6 /E 7.2520102 -0.0494 7.2519608 Err 0.5D-05 /E -/E 57: 4 0 4 3 0 3 F 10 8 /A 7.6043037 -0.0144 7.6042893 Err 0.5D-05 /A -/A 58: 4 0 4 3 0 3 F 6 4 /A 7.6043196 -0.0148 7.6043048 Err 0.5D-05 /A -/A 59: 4 0 4 3 0 3 F 8 6 /A 7.6044784 -0.0152 7.6044632 Err 0.5D-05 /A -/A 60: 4 K 0 3 K 0 F 10 8 /E 7.6042811 -0.0563 7.6042248 Err 0.5D-05 /E -/E 61: 4 K 0 3 K 0 F 6 4 /E 7.6042969 -0.0557 7.6042412 Err 0.5D-05 /E -/E 62: 4 K 0 3 K 0 F 8 6 /E 7.6044557 -0.0568 7.6043989 Err 0.5D-05 /E -/E 63: 4 2 3 3 2 2 F 6 4 /A 7.7316024 -0.0250 7.7315774 Err 0.5D-05 /A -/A 64: 4 2 3 3 2 2 F 10 8 /A 7.7316547 -0.0361 7.7316186 Err 0.5D-05 /A -/A 65: 4 2 3 3 2 2 F 8 6 /A 7.7318580 -0.0355 7.7318225 Err 0.5D-05 /A -/A 66: 4 K 2 3 K 2 F 6 4 /E 7.7334434 -0.0078 7.7334356 Err 0.5D-05 /E -/E 67: 4 K 2 3 K 2 F 10 8 /E 7.7334979 -0.0077 7.7334902 Err 0.5D-05 /E -/E 68: 4 K 2 3 K 2 F 8 6 /E 7.7337073 -0.0062 7.7337011 Err 0.5D-05 /E -/E 69: 4 2 2 3 2 1 F 6 4 /A 7.8700126 -0.0320 7.8699806 Err 0.5D-05 /A -/A 70: 4 2 2 3 2 1 F 10 8 /A 7.8700417 -0.0289 7.8700128 Err 0.5D-05 /A -/A 71: 4 2 2 3 2 1 F 8 6 /A 7.8700806 -0.0270 7.8700536 Err 0.5D-05 /A -/A 72: 4 K -2 3 K -2 F 6 4 /E 7.8681565 -0.2110 7.8679455 Err 0.5D-05 /E -/E 73: 4 K -2 3 K -2 F 10 8 /E 7.8681833 -0.2104 7.8679729 Err 0.5D-05 /E -/E 74: 4 K -2 3 K -2 F 8 6 /E 7.8682163 -0.2114 7.8680049 Err 0.5D-05 /E -/E 75: 4 1 3 3 1 2 F 6 4 /A 8.1767058 0.0226 8.1767284 Err 0.1D-01 /A -/A 76: 4 1 3 3 1 2 F 10 8 /A 8.1767875 0.0072 8.1767947 Err 0.5D-05 /A -/A 77: 4 1 3 3 1 2 F 8 6 /A 8.1768624 0.0060 8.1768684 Err 0.5D-05 /A -/A 78: 4 K -1 3 K -1 F 10 8 /E 8.1767520 -0.0959 8.1766561 Err 0.5D-05 /E -/E 79: 4 K -1 3 K -1 F 8 6 /E 8.1768269 -0.0985 8.1767284 Err 0.5D-05 /E -/E 80: 4 K -1 3 K -1 F 6 4 /E 8.1766703 -0.0955 8.1765748 Err 0.5D-05 /E -/E 81: 5 1 5 4 1 4 F 12 10 /A 9.0418406 -0.0585 9.0417821 Err 0.5D-05 /A -/A 82: 5 1 5 4 1 4 F 8 6 /A 9.0419028 -0.0556 9.0418472 Err 0.5D-05 /A -/A 83: 5 1 5 4 1 4 F 10 8 /A 9.0419319 -0.0585 9.0418734 Err 0.5D-05 /A -/A 84: 5 K 1 4 K 1 F 12 10 /E 9.0418367 -0.0831 9.0417536 Err 0.5D-05 /E -/E 85: 5 K 1 4 K 1 F 8 6 /E 9.0418988 -0.0827 9.0418161 Err 0.5D-05 /E -/E 86: 5 K 1 4 K 1 F 10 8 /E 9.0419279 -0.0836 9.0418443 Err 0.5D-05 /E -/E 87: 5 0 5 4 0 4 F 8 6 /A 9.4101100 -0.0516 9.4100584 Err 0.5D-05 /A -/A 88: 5 0 5 4 0 4 F 12 10 /A 9.4101061 -0.0477 9.4100584 Err 0.5D-05 /A -/A 89: 5 0 5 4 0 4 F 10 8 /A 9.4103045 -0.0496 9.4102549 Err 0.5D-05 /A -/A 90: 5 K 0 4 K 0 F 8 6 /E 9.4100762 -0.0857 9.4099905 Err 0.5D-05 /E -/E 91: 5 K 0 4 K 0 F 12 10 /E 9.4100723 -0.0818 9.4099905 Err 0.5D-05 /E -/E 92: 5 K 0 4 K 0 F 10 8 /E 9.4102706 -0.0874 9.4101832 Err 0.5D-05 /E -/E 93: 5 2 3 4 2 2 F 10 8 /A 9.9150287 -0.0623 9.9149664 Err 0.5D-05 /A -/A 94: 5 2 3 4 2 2 F 12 10 /A 9.9150918 -0.0637 9.9150281 Err 0.5D-05 /A -/A 95: 5 2 3 4 2 2 F 8 6 /A 9.9150957 -0.0530 9.9150427 Err 0.5D-05 /A -/A 96: 5 K -2 4 K -2 F 10 8 /E 9.9144714 -0.2159 9.9142555 Err 0.5D-05 /E -/E 97: 5 K -2 4 K -2 F 12 10 /E 9.9145358 -0.2161 9.9143197 Err 0.5D-05 /E -/E 98: 5 K -2 4 K -2 F 8 6 /E 9.9145400 -0.2203 9.9143197 Err 0.5D-05 /E -/E 99: 5 2 4 4 2 3 F 8 6 /A 9.6469288 -0.0795 9.6468493 Err 0.5D-05 /A -/A 100: 5 2 4 4 2 3 F 12 10 /A 9.6469440 -0.0701 9.6468739 Err 0.5D-05 /A -/A 101: 5 2 4 4 2 3 F 10 8 /A 9.6470719 -0.0758 9.6469961 Err 0.5D-05 /A -/A 102: 5 K 2 4 K 2 F 8 6 /E 9.6474686 -0.1262 9.6473424 Err 0.5D-05 /E -/E 103: 5 K 2 4 K 2 F 12 10 /E 9.6474841 -0.1226 9.6473615 Err 0.5D-05 /E -/E 104: 5 K 2 4 K 2 F 10 8 /E 9.6476132 -0.1232 9.6474900 Err 0.5D-05 /E -/E 105: 5 1 4 4 1 3 F 8 6 /A 10.1906740 -0.0280 10.1906460 Err 0.5D-05 /A -/A 106: 5 1 4 4 1 3 F 12 10 /A 10.1907214 -0.0378 10.1906836 Err 0.5D-05 /A -/A 107: 5 1 4 4 1 3 F 10 8 /A 10.1907972 -0.0374 10.1907598 Err 0.5D-05 /A -/A 108: 5 K -1 4 K -1 F 8 6 /E 10.1906380 -0.1554 10.1904826 Err 0.5D-05 /E -/E 109: 5 K -1 4 K -1 F 12 10 /E 10.1906854 -0.1555 10.1905299 Err 0.5D-05 /E -/E 110: 5 K -1 4 K -1 F 10 8 /E 10.1907611 -0.1555 10.1906056 Err 0.5D-05 /E -/E 111: 6 1 6 5 1 5 F 14 12 /A 10.8190656 -0.1055 10.8189601 Err 0.5D-05 /A -/A 112: 6 1 6 5 1 5 F 10 8 /A 10.8191077 -0.1013 10.8190064 Err 0.5D-05 /A -/A 113: 6 1 6 5 1 5 F 12 10 /A 10.8191471 -0.1034 10.8190437 Err 0.5D-05 /A -/A 114: 6 K 1 5 K 1 F 14 12 /E 10.8190543 -0.1279 10.8189264 Err 0.5D-05 /E -/E 115: 6 K 1 5 K 1 F 10 8 /E 10.8190965 -0.1246 10.8189719 Err 0.5D-05 /E -/E 116: 6 K 1 5 K 1 F 12 10 /E 10.8191358 -0.1294 10.8190064 Err 0.5D-05 /E -/E 117: 6 0 6 5 0 5 F 10 8 /A 11.1681565 -0.1098 11.1680467 Err 0.5D-05 /A -/A 118: 6 0 6 5 0 5 F 14 12 /A 11.1681554 -0.1087 11.1680467 Err 0.5D-05 /A -/A 119: 6 0 6 5 0 5 F 12 10 /A 11.1683610 -0.1090 11.1682520 Err 0.5D-05 /A -/A 120: 6 K 0 5 K 0 F 10 8 /E 11.1681109 -0.1314 11.1679795 Err 0.5D-05 /E -/E 121: 6 K 0 5 K 0 F 14 12 /E 11.1681098 -0.1303 11.1679795 Err 0.5D-05 /E -/E 122: 6 K 0 5 K 0 F 12 10 /E 11.1683155 -0.1315 11.1681840 Err 0.5D-05 /E -/E 123: 6 2 5 5 2 4 F 10 8 /A 11.5505701 -0.1300 11.5504401 Err 0.5D-05 /A -/A 124: 6 2 5 5 2 4 F 14 12 /A 11.5505751 -0.1350 11.5504401 Err 0.5D-05 /A -/A 125: 6 2 5 5 2 4 F 12 10 /A 11.5506734 -0.1209 11.5505525 Err 0.5D-05 /A -/A 126: 6 K 2 5 K 2 F 10 8 /E 11.5507575 -0.2192 11.5505383 Err 0.5D-05 /E -/E 127: 6 K 2 5 K 2 F 14 12 /E 11.5507626 -0.2243 11.5505383 Err 0.5D-05 /E -/E 128: 6 K 2 5 K 2 F 12 10 /E 11.5508612 -0.2099 11.5506513 Err 0.5D-05 /E -/E 129: 6 2 4 5 2 3 F 12 10 /A 11.9957775 -0.1223 11.9956552 Err 0.5D-05 /A -/A 130: 6 2 4 5 2 3 F 14 12 /A 11.9958787 -0.1216 11.9957571 Err 0.5D-05 /A -/A 131: 6 2 4 5 2 3 F 10 8 /A 11.9958877 -0.1142 11.9957735 Err 0.5D-05 /A -/A 132: 6 K -2 5 K -2 F 12 10 /E 11.9955716 -0.2934 11.9952782 Err 0.5D-05 /E -/E 133: 6 K -2 5 K -2 F 14 12 /E 11.9956731 -0.2945 11.9953786 Err 0.5D-05 /E -/E 134: 6 K -2 5 K -2 F 10 8 /E 11.9956823 -0.2887 11.9953936 Err 0.5D-05 /E -/E 135: 6 1 5 5 1 4 F 10 8 /A 12.1814425 -0.1037 12.1813388 Err 0.5D-05 /A -/A 136: 6 1 5 5 1 4 F 14 12 /A 12.1814757 -0.1031 12.1813726 Err 0.5D-05 /A -/A 137: 6 1 5 5 1 4 F 12 10 /A 12.1815643 -0.1008 12.1814635 Err 0.5D-05 /A -/A 138: 6 K -1 5 K -1 F 10 8 /E 12.1813993 -0.2372 12.1811621 Err 0.5D-05 /E -/E 139: 6 K -1 5 K -1 F 14 12 /E 12.1814325 -0.2376 12.1811949 Err 0.5D-05 /E -/E 140: 6 K -1 5 K -1 F 12 10 /E 12.1815212 -0.2358 12.1812854 Err 0.5D-05 /E -/E 141: 7 1 7 6 1 6 F 16 14 /A 12.5833375 -0.1602 12.5831773 Err 0.5D-05 /A -/A 142: 7 1 7 6 1 6 F 12 10 /A 12.5833680 -0.1657 12.5832023 Err 0.5D-05 /A -/A 143: 7 1 7 6 1 6 F 14 12 /A 12.5834135 -0.1643 12.5832492 Err 0.5D-05 /A -/A 144: 7 K 1 6 K 1 F 16 14 /E 12.5833203 -0.1906 12.5831297 Err 0.5D-05 /E -/E 145: 7 K 1 6 K 1 F 12 10 /E 12.5833507 -0.1810 12.5831697 Err 0.5D-05 /E -/E 146: 7 K 1 6 K 1 F 14 12 /E 12.5833962 -0.1784 12.5832178 Err 0.5D-05 /E -/E 147: 7 0 7 6 0 6 F 12 10 /A 12.8870165 -0.1793 12.8868372 Err 0.5D-05 /A -/A 148: 7 0 7 6 0 6 F 16 14 /A 12.8870144 -0.1772 12.8868372 Err 0.5D-05 /A -/A 149: 7 0 7 6 0 6 F 14 12 /A 12.8872097 -0.1778 12.8870319 Err 0.5D-05 /A -/A 150: 7 K 0 6 K 0 F 12 10 /E 12.8869613 -0.1879 12.8867734 Err 0.5D-05 /E -/E 151: 7 K 0 6 K 0 F 16 14 /E 12.8869592 -0.1858 12.8867734 Err 0.5D-05 /E -/E 152: 7 K 0 6 K 0 F 14 12 /E 12.8871545 -0.1873 12.8869672 Err 0.5D-05 /E -/E 153: 7 1 6 6 1 5 F 12 10 /A 14.1415984 -0.1907 14.1414077 Err 0.5D-05 /A -/A 154: 7 1 6 6 1 5 F 16 14 /A 14.1416245 -0.1959 14.1414286 Err 0.5D-05 /A -/A 155: 7 1 6 6 1 5 F 14 12 /A 14.1417321 -0.1952 14.1415369 Err 0.5D-05 /A -/A 156: 7 K -1 6 K -1 F 12 10 /E 14.1415434 -0.3331 14.1412103 Err 0.5D-05 /E -/E 157: 7 K -1 6 K -1 F 16 14 /E 14.1415695 -0.3378 14.1412317 Err 0.5D-05 /E -/E 158: 7 K -1 6 K -1 F 14 12 /E 14.1416771 -0.3360 14.1413411 Err 0.5D-05 /E -/E 159: 8 1 8 7 1 7 F 16 14 /A 14.3353303 -0.2514 14.3350789 Err 0.5D-05 /A -/A 160: 8 0 8 7 0 7 F 18 16 /A 14.5805808 -0.2616 14.5803192 Err 0.5D-05 /A -/A 161: 8 0 8 7 0 7 F 14 12 /A 14.5805853 -0.2661 14.5803192 Err 0.5D-05 /A -/A 162: 8 0 8 7 0 7 F 16 14 /A 14.5807532 -0.2632 14.5804900 Err 0.5D-05 /A -/A 163: 8 K 0 7 K 0 F 18 16 /E 14.5805199 -0.2596 14.5802603 Err 0.5D-05 /E -/E 164: 8 K 0 7 K 0 F 14 12 /E 14.5805243 -0.2640 14.5802603 Err 0.5D-05 /E -/E 165: 8 K 0 7 K 0 F 16 14 /E 14.5806922 -0.2617 14.5804305 Err 0.5D-05 /E -/E 166: 9 0 9 8 0 8 F 20 18 /A 16.2625470 -0.3632 16.2621838 Err 0.5D-05 /A -/A 167: 9 0 9 8 0 8 F 16 14 /A 16.2625536 -0.3698 16.2621838 Err 0.5D-05 /A -/A 168: 9 0 9 8 0 8 F 18 16 /A 16.2626914 -0.3665 16.2623249 Err 0.5D-05 /A -/A 169: 9 K 0 8 K 0 F 20 18 /E 16.2624843 -0.3542 16.2621301 Err 0.5D-05 /E -/E 170: 9 K 0 8 K 0 F 16 14 /E 16.2624908 -0.3607 16.2621301 Err 0.5D-05 /E -/E 171: 9 K 0 8 K 0 F 18 16 /E 16.2626287 -0.3535 16.2622752 Err 0.5D-05 /E -/E Maximum (obs-calc)/err in line 167 0.0003698 Lines fitted = 171 MICROWAVE RMS = 0.143480 MHz = [(sum(o-c)^2)/n]^(1/2) RMS ERROR = 28.693878 = [(sum((o-c)/err)^2)/n]^(1/2) indep.par: 10 stepw:1.0000 lambda:0.400D-05 cond.no:0.500D+03 ------------------------------------------------------- Iteration : 1 Sigma:0.116378D-03 Sigma/OldSigma:0.782351 conv: 1 Parameters Change BJ 0.967838490 {-0.000000267} BK 2.851386125 { 0.000044419} B- 0.116012072 {-0.000002645} DJ 0.170145E-6 { 0.170145E-6} DJK 1.077706E-6 { 1.077706E-6} dj 0.041174E-6 { 0.041174E-6} chi_z 0.001346458 { 0.000000665} chi_- 0.006213070 {-0.000002718} \F 160.282908058 { derived} V1n 11457.255913 {-1042.744087} \rho 0.014620915 { derived} beta 0.398884155 { 0.298884155} \epsil 0.000000E-6 { derived} \delta 0.978204654 { derived} DJ (1) 0.170145E-6 0.170145E-6 100.000% Max. Change indep.par: 10 stepw:1.0000 lambda:0.160D-05 cond.no:0.227D+03 ------------------------------------------------------- Iteration : 2 Sigma:0.306139D-04 Sigma/OldSigma:0.263055 conv: 1 Parameters Change BJ 0.967838482 {-0.000000007} BK 2.851388313 { 0.000002188} B- 0.116012801 { 0.000000729} DJ 0.170247E-6 { 0.000102E-6} DJK 1.068464E-6 {-0.009242E-6} dj 0.040651E-6 {-0.000523E-6} chi_z 0.001346629 { 0.000000171} chi_- 0.006214898 { 0.000001828} \F 160.841036419 { derived} V1n 11574.768997 { 117.513085} \rho 0.017886333 { derived} beta 0.271141994 {-0.127742160} \epsil 0.000000E-6 { derived} \delta 0.775073859 { derived} beta_1 (1) 0.271141994 -0.127742160 47.113% Max. Change indep.par: 10 stepw:1.0000 lambda:0.640D-06 cond.no:0.423D+03 ------------------------------------------------------- Iteration : 3 Sigma:0.590464D-05 Sigma/OldSigma:0.192874 conv: 1 Parameters Change BJ 0.967838509 { 0.000000027} BK 2.851384036 {-0.000004276} B- 0.116012891 { 0.000000089} DJ 0.169981E-6 {-0.000265E-6} DJK 1.084793E-6 { 0.016329E-6} dj 0.040850E-6 { 0.000198E-6} chi_z 0.001346603 {-0.000000026} chi_- 0.006213609 {-0.000001289} \F 160.738909790 { derived} V1n 11565.977267 { -8.791731} \rho 0.017336448 { derived} beta 0.290423720 { 0.019281726} \epsil 0.000000E-6 { derived} \delta 0.811283526 { derived} beta_1 (1) 0.290423720 0.019281726 6.639% Max. Change indep.par: 10 stepw:1.0000 lambda:0.256D-06 cond.no:0.383D+03 ------------------------------------------------------- Iteration : 4 Sigma:0.583487D-05 Sigma/OldSigma:0.988184 conv: 1 Parameters Change BJ 0.967838512 { 0.000000002} BK 2.851383762 {-0.000000274} B- 0.116012896 { 0.000000005} DJ 0.169966E-6 {-0.000015E-6} DJK 1.085776E-6 { 0.000984E-6} dj 0.040865E-6 { 0.000016E-6} chi_z 0.001346602 {-0.000000002} chi_- 0.006213517 {-0.000000092} \F 160.736125793 { derived} V1n 11566.066569 { 0.089302} \rho 0.017321204 { derived} beta 0.290967504 { 0.000543784} \epsil 0.000000E-6 { derived} \delta 0.812272270 { derived} beta_1 (1) 0.290967504 0.000543784 0.187% Max. Change indep.par: 10 stepw:1.0000 lambda:0.102D-06 cond.no:0.383D+03 ------------------------------------------------------- Iteration : 5 Sigma:0.583487D-05 Sigma/OldSigma:1.000000 conv: 2 beta_1 (1) 0.290976521 0.000009018 0.003% Max. Change indep.par: 10 stepw:1.0000 lambda:0.102D-05 cond.no:0.383D+03 ------------------------------------------------------- Iteration : 6 Sigma:0.583487D-05 Sigma/OldSigma:1.000000 conv: 3 beta_1 (1) 0.290976521 0.000009017 0.003% Max. Change indep.par: 10 stepw:1.0000 lambda:0.102D-05 cond.no:0.383D+03 Recalculation of the spectrum ########################################################## End at Cycle 6 J K- K+ J K- K+ F F Sym calc/GHz diff/MHz obs/GHz 1: 2 1 2 1 1 1 F 2 2 /A 3.6377858 -0.0033 3.6377825 Err 0.5D-05 /A -/A 2: 2 1 2 1 1 1 F 6 4 /A 3.6391908 -0.0006 3.6391902 Err 0.5D-05 /A -/A 3: 2 1 2 1 1 1 F 2 0 /A 3.6396108 -0.0034 3.6396074 Err 0.5D-05 /A -/A 4: 2 1 2 1 1 1 F 4 2 /A 3.6396758 -0.0077 3.6396681 Err 0.5D-05 /A -/A 5: 2 1 2 1 1 1 F 4 4 /A 3.6404058 0.0032 3.6404090 Err 0.5D-05 /A -/A 6: 2 K 1 1 K 1 F 6 4 /E 3.6393284 0.0005 3.6393289 Err 0.5D-05 /E -/E 7: 2 K 1 1 K 1 F 2 0 /E 3.6397458 -0.0034 3.6397424 Err 0.5D-05 /E -/E 8: 2 K 1 1 K 1 F 4 2 /E 3.6398151 0.0018 3.6398169 Err 0.5D-05 /E -/E 9: 2 K 1 1 K 1 F 4 4 /E 3.6405432 0.0031 3.6405463 Err 0.5D-05 /E -/E 10: 2 0 2 1 0 1 F 2 2 /A 3.8564967 -0.0051 3.8564916 Err 0.5D-05 /A -/A 11: 2 0 2 1 0 1 F 6 4 /A 3.8571856 -0.0038 3.8571818 Err 0.5D-05 /A -/A 12: 2 0 2 1 0 1 F 4 2 /A 3.8572944 -0.0033 3.8572911 Err 0.5D-05 /A -/A 13: 2 0 2 1 0 1 F 2 0 /A 3.8575067 0.0113 3.8575180 Err 0.5D-05 /A -/A 14: 2 0 2 1 0 1 F 4 4 /A 3.8576984 0.0090 3.8577074 Err 0.5D-05 /A -/A 15: 2 K 0 1 K 0 F 6 4 /E 3.8571442 0.0063 3.8571505 Err 0.5D-05 /E -/E 16: 2 K 0 1 K 0 F 4 2 /E 3.8572529 -0.0026 3.8572503 Err 0.5D-05 /E -/E 17: 2 K 0 1 K 0 F 2 0 /E 3.8574652 0.0003 3.8574655 Err 0.5D-05 /E -/E 18: 2 K 0 1 K 0 F 4 4 /E 3.8576569 -0.0104 3.8576465 Err 0.5D-05 /E -/E 19: 2 1 1 1 1 0 F 6 4 /A 4.1033876 0.0022 4.1033898 Err 0.5D-05 /A -/A 20: 2 1 1 1 1 0 F 4 2 /A 4.1037394 0.0075 4.1037469 Err 0.5D-05 /A -/A 21: 2 K -1 1 K -1 F 2 0 /E 4.1019077 0.0028 4.1019105 Err 0.5D-05 /E -/E 22: 2 K -1 1 K -1 F 6 4 /E 4.1031714 0.0044 4.1031758 Err 0.5D-05 /E -/E 23: 2 K -1 1 K -1 F 4 2 /E 4.1035216 -0.0006 4.1035210 Err 0.5D-05 /E -/E 24: 3 1 3 2 1 2 F 8 6 /A 5.4503366 -0.0029 5.4503337 Err 0.5D-05 /A -/A 25: 3 1 3 2 1 2 F 6 4 /A 5.4505186 -0.0069 5.4505117 Err 0.5D-05 /A -/A 26: 3 1 3 2 1 2 F 4 2 /A 5.4505226 -0.0082 5.4505144 Err 0.5D-05 /A -/A 27: 3 K 1 2 K 1 F 8 6 /E 5.4503463 -0.0018 5.4503445 Err 0.5D-05 /E -/E 28: 3 K 1 2 K 1 F 6 4 /E 5.4505285 0.0030 5.4505315 Err 0.5D-05 /E -/E 29: 3 K 1 2 K 1 F 4 2 /E 5.4505322 -0.0007 5.4505315 Err 0.5D-05 /E -/E 30: 3 0 3 2 0 2 F 4 4 /A 5.7500361 0.0053 5.7500414 Err 0.5D-05 /A -/A 31: 3 0 3 2 0 2 F 8 6 /A 5.7507779 -0.0017 5.7507762 Err 0.5D-05 /A -/A 32: 3 0 3 2 0 2 F 4 2 /A 5.7508338 -0.0067 5.7508271 Err 0.5D-05 /A -/A 33: 3 0 3 2 0 2 F 6 4 /A 5.7509193 -0.0028 5.7509165 Err 0.5D-05 /A -/A 34: 3 K 0 2 K 0 F 4 4 /E 5.7499785 0.0041 5.7499826 Err 0.5D-05 /E -/E 35: 3 K 0 2 K 0 F 8 6 /E 5.7507202 0.0009 5.7507211 Err 0.5D-05 /E -/E 36: 3 K 0 2 K 0 F 4 2 /E 5.7507762 0.0000 5.7507762 Err 0.5D-05 /E -/E 37: 3 K 0 2 K 0 F 6 4 /E 5.7508616 0.0011 5.7508627 Err 0.5D-05 /E -/E 38: 3 2 2 2 2 1 F 4 2 /A 5.8066900 -0.0083 5.8066817 Err 0.5D-05 /A -/A 39: 3 2 2 2 2 1 F 8 6 /A 5.8069304 -0.0021 5.8069283 Err 0.5D-05 /A -/A 40: 3 2 2 2 2 1 F 6 4 /A 5.8073633 -0.0012 5.8073621 Err 0.5D-05 /A -/A 41: 3 2 1 2 2 0 F 4 2 /A 5.8629763 0.0082 5.8629845 Err 0.5D-05 /A -/A 42: 3 2 1 2 2 0 F 8 6 /A 5.8631893 -0.0016 5.8631877 Err 0.5D-05 /A -/A 43: 3 2 1 2 2 0 F 6 4 /A 5.8634968 -0.0022 5.8634946 Err 0.5D-05 /A -/A 44: 3 2 1 2 2 0 F 4 4 /A 5.8637740 -0.0052 5.8637688 Err 0.5D-05 /A -/A 45: 3 1 2 2 1 1 F 4 2 /A 6.1457611 0.0044 6.1457655 Err 0.5D-05 /A -/A 46: 3 1 2 2 1 1 F 8 6 /A 6.1459605 0.0082 6.1459687 Err 0.5D-05 /A -/A 47: 3 1 2 2 1 1 F 6 4 /A 6.1460710 0.0030 6.1460740 Err 0.5D-05 /A -/A 48: 3 K -1 2 K -1 F 4 2 /E 6.1456341 0.0020 6.1456361 Err 0.5D-05 /E -/E 49: 3 K -1 2 K -1 F 8 6 /E 6.1458334 0.0019 6.1458353 Err 0.5D-05 /E -/E 50: 3 K -1 2 K -1 F 6 4 /E 6.1459437 -0.0087 6.1459350 Err 0.5D-05 /E -/E 51: 4 1 4 3 1 3 F 10 8 /A 7.2518648 -0.0034 7.2518614 Err 0.5D-05 /A -/A 52: 4 1 4 3 1 3 F 6 4 /A 7.2519652 -0.0046 7.2519606 Err 0.5D-05 /A -/A 53: 4 1 4 3 1 3 F 8 6 /A 7.2519791 -0.0019 7.2519772 Err 0.5D-05 /A -/A 54: 4 K 1 3 K 1 F 10 8 /E 7.2518424 0.0031 7.2518455 Err 0.5D-05 /E -/E 55: 4 K 1 3 K 1 F 6 4 /E 7.2519427 0.0029 7.2519456 Err 0.5D-05 /E -/E 56: 4 K 1 3 K 1 F 8 6 /E 7.2519567 0.0041 7.2519608 Err 0.5D-05 /E -/E 57: 4 0 4 3 0 3 F 10 8 /A 7.6042927 -0.0034 7.6042893 Err 0.5D-05 /A -/A 58: 4 0 4 3 0 3 F 6 4 /A 7.6043085 -0.0037 7.6043048 Err 0.5D-05 /A -/A 59: 4 0 4 3 0 3 F 8 6 /A 7.6044673 -0.0041 7.6044632 Err 0.5D-05 /A -/A 60: 4 K 0 3 K 0 F 10 8 /E 7.6042235 0.0013 7.6042248 Err 0.5D-05 /E -/E 61: 4 K 0 3 K 0 F 6 4 /E 7.6042394 0.0018 7.6042412 Err 0.5D-05 /E -/E 62: 4 K 0 3 K 0 F 8 6 /E 7.6043982 0.0007 7.6043989 Err 0.5D-05 /E -/E 63: 4 2 3 3 2 2 F 6 4 /A 7.7315665 0.0109 7.7315774 Err 0.5D-05 /A -/A 64: 4 2 3 3 2 2 F 10 8 /A 7.7316188 -0.0002 7.7316186 Err 0.5D-05 /A -/A 65: 4 2 3 3 2 2 F 8 6 /A 7.7318223 0.0002 7.7318225 Err 0.5D-05 /A -/A 66: 4 K 2 3 K 2 F 6 4 /E 7.7334384 -0.0028 7.7334356 Err 0.5D-05 /E -/E 67: 4 K 2 3 K 2 F 10 8 /E 7.7334930 -0.0028 7.7334902 Err 0.5D-05 /E -/E 68: 4 K 2 3 K 2 F 8 6 /E 7.7337027 -0.0016 7.7337011 Err 0.5D-05 /E -/E 69: 4 2 2 3 2 1 F 6 4 /A 7.8699877 -0.0071 7.8699806 Err 0.5D-05 /A -/A 70: 4 2 2 3 2 1 F 10 8 /A 7.8700168 -0.0040 7.8700128 Err 0.5D-05 /A -/A 71: 4 2 2 3 2 1 F 8 6 /A 7.8700559 -0.0023 7.8700536 Err 0.5D-05 /A -/A 72: 4 K -2 3 K -2 F 6 4 /E 7.8679460 -0.0005 7.8679455 Err 0.5D-05 /E -/E 73: 4 K -2 3 K -2 F 10 8 /E 7.8679728 0.0001 7.8679729 Err 0.5D-05 /E -/E 74: 4 K -2 3 K -2 F 8 6 /E 7.8680057 -0.0008 7.8680049 Err 0.5D-05 /E -/E 75: 4 1 3 3 1 2 F 6 4 /A 8.1767076 0.0208 8.1767284 Err 0.1D-01 /A -/A 76: 4 1 3 3 1 2 F 10 8 /A 8.1767893 0.0054 8.1767947 Err 0.5D-05 /A -/A 77: 4 1 3 3 1 2 F 8 6 /A 8.1768642 0.0042 8.1768684 Err 0.5D-05 /A -/A 78: 4 K -1 3 K -1 F 10 8 /E 8.1766565 -0.0004 8.1766561 Err 0.5D-05 /E -/E 79: 4 K -1 3 K -1 F 8 6 /E 8.1767315 -0.0031 8.1767284 Err 0.5D-05 /E -/E 80: 4 K -1 3 K -1 F 6 4 /E 8.1765749 -0.0001 8.1765748 Err 0.5D-05 /E -/E 81: 5 1 5 4 1 4 F 12 10 /A 9.0417864 -0.0043 9.0417821 Err 0.5D-05 /A -/A 82: 5 1 5 4 1 4 F 8 6 /A 9.0418486 -0.0014 9.0418472 Err 0.5D-05 /A -/A 83: 5 1 5 4 1 4 F 10 8 /A 9.0418776 -0.0042 9.0418734 Err 0.5D-05 /A -/A 84: 5 K 1 4 K 1 F 12 10 /E 9.0417489 0.0047 9.0417536 Err 0.5D-05 /E -/E 85: 5 K 1 4 K 1 F 8 6 /E 9.0418110 0.0051 9.0418161 Err 0.5D-05 /E -/E 86: 5 K 1 4 K 1 F 10 8 /E 9.0418401 0.0042 9.0418443 Err 0.5D-05 /E -/E 87: 5 0 5 4 0 4 F 8 6 /A 9.4100625 -0.0041 9.4100584 Err 0.5D-05 /A -/A 88: 5 0 5 4 0 4 F 12 10 /A 9.4100586 -0.0002 9.4100584 Err 0.5D-05 /A -/A 89: 5 0 5 4 0 4 F 10 8 /A 9.4102569 -0.0020 9.4102549 Err 0.5D-05 /A -/A 90: 5 K 0 4 K 0 F 8 6 /E 9.4099868 0.0037 9.4099905 Err 0.5D-05 /E -/E 91: 5 K 0 4 K 0 F 12 10 /E 9.4099829 0.0076 9.4099905 Err 0.5D-05 /E -/E 92: 5 K 0 4 K 0 F 10 8 /E 9.4101812 0.0020 9.4101832 Err 0.5D-05 /E -/E 93: 5 2 3 4 2 2 F 10 8 /A 9.9149691 -0.0027 9.9149664 Err 0.5D-05 /A -/A 94: 5 2 3 4 2 2 F 12 10 /A 9.9150321 -0.0040 9.9150281 Err 0.5D-05 /A -/A 95: 5 2 3 4 2 2 F 8 6 /A 9.9150360 0.0067 9.9150427 Err 0.5D-05 /A -/A 96: 5 K -2 4 K -2 F 10 8 /E 9.9142592 -0.0037 9.9142555 Err 0.5D-05 /E -/E 97: 5 K -2 4 K -2 F 12 10 /E 9.9143235 -0.0038 9.9143197 Err 0.5D-05 /E -/E 98: 5 K -2 4 K -2 F 8 6 /E 9.9143278 -0.0081 9.9143197 Err 0.5D-05 /E -/E 99: 5 2 4 4 2 3 F 8 6 /A 9.6468524 -0.0031 9.6468493 Err 0.5D-05 /A -/A 100: 5 2 4 4 2 3 F 12 10 /A 9.6468675 0.0064 9.6468739 Err 0.5D-05 /A -/A 101: 5 2 4 4 2 3 F 10 8 /A 9.6469954 0.0007 9.6469961 Err 0.5D-05 /A -/A 102: 5 K 2 4 K 2 F 8 6 /E 9.6473431 -0.0007 9.6473424 Err 0.5D-05 /E -/E 103: 5 K 2 4 K 2 F 12 10 /E 9.6473586 0.0029 9.6473615 Err 0.5D-05 /E -/E 104: 5 K 2 4 K 2 F 10 8 /E 9.6474878 0.0022 9.6474900 Err 0.5D-05 /E -/E 105: 5 1 4 4 1 3 F 8 6 /A 10.1906366 0.0094 10.1906460 Err 0.5D-05 /A -/A 106: 5 1 4 4 1 3 F 12 10 /A 10.1906839 -0.0003 10.1906836 Err 0.5D-05 /A -/A 107: 5 1 4 4 1 3 F 10 8 /A 10.1907597 0.0001 10.1907598 Err 0.5D-05 /A -/A 108: 5 K -1 4 K -1 F 8 6 /E 10.1904834 -0.0008 10.1904826 Err 0.5D-05 /E -/E 109: 5 K -1 4 K -1 F 12 10 /E 10.1905308 -0.0009 10.1905299 Err 0.5D-05 /E -/E 110: 5 K -1 4 K -1 F 10 8 /E 10.1906065 -0.0009 10.1906056 Err 0.5D-05 /E -/E 111: 6 1 6 5 1 5 F 14 12 /A 10.8189662 -0.0061 10.8189601 Err 0.5D-05 /A -/A 112: 6 1 6 5 1 5 F 10 8 /A 10.8190084 -0.0020 10.8190064 Err 0.5D-05 /A -/A 113: 6 1 6 5 1 5 F 12 10 /A 10.8190477 -0.0040 10.8190437 Err 0.5D-05 /A -/A 114: 6 K 1 5 K 1 F 14 12 /E 10.8189194 0.0070 10.8189264 Err 0.5D-05 /E -/E 115: 6 K 1 5 K 1 F 10 8 /E 10.8189616 0.0103 10.8189719 Err 0.5D-05 /E -/E 116: 6 K 1 5 K 1 F 12 10 /E 10.8190009 0.0055 10.8190064 Err 0.5D-05 /E -/E 117: 6 0 6 5 0 5 F 10 8 /A 11.1680559 -0.0092 11.1680467 Err 0.5D-05 /A -/A 118: 6 0 6 5 0 5 F 14 12 /A 11.1680548 -0.0081 11.1680467 Err 0.5D-05 /A -/A 119: 6 0 6 5 0 5 F 12 10 /A 11.1682604 -0.0084 11.1682520 Err 0.5D-05 /A -/A 120: 6 K 0 5 K 0 F 10 8 /E 11.1679779 0.0016 11.1679795 Err 0.5D-05 /E -/E 121: 6 K 0 5 K 0 F 14 12 /E 11.1679768 0.0027 11.1679795 Err 0.5D-05 /E -/E 122: 6 K 0 5 K 0 F 12 10 /E 11.1681823 0.0017 11.1681840 Err 0.5D-05 /E -/E 123: 6 2 5 5 2 4 F 10 8 /A 11.5504327 0.0074 11.5504401 Err 0.5D-05 /A -/A 124: 6 2 5 5 2 4 F 14 12 /A 11.5504377 0.0024 11.5504401 Err 0.5D-05 /A -/A 125: 6 2 5 5 2 4 F 12 10 /A 11.5505360 0.0165 11.5505525 Err 0.5D-05 /A -/A 126: 6 K 2 5 K 2 F 10 8 /E 11.5505404 -0.0021 11.5505383 Err 0.5D-05 /E -/E 127: 6 K 2 5 K 2 F 14 12 /E 11.5505456 -0.0073 11.5505383 Err 0.5D-05 /E -/E 128: 6 K 2 5 K 2 F 12 10 /E 11.5506442 0.0071 11.5506513 Err 0.5D-05 /E -/E 129: 6 2 4 5 2 3 F 12 10 /A 11.9956589 -0.0037 11.9956552 Err 0.5D-05 /A -/A 130: 6 2 4 5 2 3 F 14 12 /A 11.9957601 -0.0030 11.9957571 Err 0.5D-05 /A -/A 131: 6 2 4 5 2 3 F 10 8 /A 11.9957691 0.0044 11.9957735 Err 0.5D-05 /A -/A 132: 6 K -2 5 K -2 F 12 10 /E 11.9952834 -0.0052 11.9952782 Err 0.5D-05 /E -/E 133: 6 K -2 5 K -2 F 14 12 /E 11.9953849 -0.0063 11.9953786 Err 0.5D-05 /E -/E 134: 6 K -2 5 K -2 F 10 8 /E 11.9953940 -0.0004 11.9953936 Err 0.5D-05 /E -/E 135: 6 1 5 5 1 4 F 10 8 /A 12.1813404 -0.0016 12.1813388 Err 0.5D-05 /A -/A 136: 6 1 5 5 1 4 F 14 12 /A 12.1813736 -0.0010 12.1813726 Err 0.5D-05 /A -/A 137: 6 1 5 5 1 4 F 12 10 /A 12.1814622 0.0013 12.1814635 Err 0.5D-05 /A -/A 138: 6 K -1 5 K -1 F 10 8 /E 12.1811647 -0.0026 12.1811621 Err 0.5D-05 /E -/E 139: 6 K -1 5 K -1 F 14 12 /E 12.1811978 -0.0029 12.1811949 Err 0.5D-05 /E -/E 140: 6 K -1 5 K -1 F 12 10 /E 12.1812864 -0.0010 12.1812854 Err 0.5D-05 /E -/E 141: 7 1 7 6 1 6 F 16 14 /A 12.5831761 0.0012 12.5831773 Err 0.5D-05 /A -/A 142: 7 1 7 6 1 6 F 12 10 /A 12.5832066 -0.0043 12.5832023 Err 0.5D-05 /A -/A 143: 7 1 7 6 1 6 F 14 12 /A 12.5832521 -0.0029 12.5832492 Err 0.5D-05 /A -/A 144: 7 K 1 6 K 1 F 16 14 /E 12.5831230 0.0067 12.5831297 Err 0.5D-05 /E -/E 145: 7 K 1 6 K 1 F 12 10 /E 12.5831535 0.0162 12.5831697 Err 0.5D-05 /E -/E 146: 7 K 1 6 K 1 F 14 12 /E 12.5831990 0.0188 12.5832178 Err 0.5D-05 /E -/E 147: 7 0 7 6 0 6 F 12 10 /A 12.8868471 -0.0099 12.8868372 Err 0.5D-05 /A -/A 148: 7 0 7 6 0 6 F 16 14 /A 12.8868450 -0.0078 12.8868372 Err 0.5D-05 /A -/A 149: 7 0 7 6 0 6 F 14 12 /A 12.8870403 -0.0084 12.8870319 Err 0.5D-05 /A -/A 150: 7 K 0 6 K 0 F 12 10 /E 12.8867697 0.0037 12.8867734 Err 0.5D-05 /E -/E 151: 7 K 0 6 K 0 F 16 14 /E 12.8867675 0.0059 12.8867734 Err 0.5D-05 /E -/E 152: 7 K 0 6 K 0 F 14 12 /E 12.8869628 0.0044 12.8869672 Err 0.5D-05 /E -/E 153: 7 1 6 6 1 5 F 12 10 /A 14.1414027 0.0050 14.1414077 Err 0.5D-05 /A -/A 154: 7 1 6 6 1 5 F 16 14 /A 14.1414288 -0.0002 14.1414286 Err 0.5D-05 /A -/A 155: 7 1 6 6 1 5 F 14 12 /A 14.1415364 0.0005 14.1415369 Err 0.5D-05 /A -/A 156: 7 K -1 6 K -1 F 12 10 /E 14.1412064 0.0039 14.1412103 Err 0.5D-05 /E -/E 157: 7 K -1 6 K -1 F 16 14 /E 14.1412325 -0.0008 14.1412317 Err 0.5D-05 /E -/E 158: 7 K -1 6 K -1 F 14 12 /E 14.1413401 0.0010 14.1413411 Err 0.5D-05 /E -/E 159: 8 1 8 7 1 7 F 16 14 /A 14.3350881 -0.0092 14.3350789 Err 0.5D-05 /A -/A 160: 8 0 8 7 0 7 F 18 16 /A 14.5803268 -0.0076 14.5803192 Err 0.5D-05 /A -/A 161: 8 0 8 7 0 7 F 14 12 /A 14.5803313 -0.0121 14.5803192 Err 0.5D-05 /A -/A 162: 8 0 8 7 0 7 F 16 14 /A 14.5804991 -0.0091 14.5804900 Err 0.5D-05 /A -/A 163: 8 K 0 7 K 0 F 18 16 /E 14.5802514 0.0089 14.5802603 Err 0.5D-05 /E -/E 164: 8 K 0 7 K 0 F 14 12 /E 14.5802558 0.0045 14.5802603 Err 0.5D-05 /E -/E 165: 8 K 0 7 K 0 F 16 14 /E 14.5804237 0.0068 14.5804305 Err 0.5D-05 /E -/E 166: 9 0 9 8 0 8 F 20 18 /A 16.2621911 -0.0073 16.2621838 Err 0.5D-05 /A -/A 167: 9 0 9 8 0 8 F 16 14 /A 16.2621976 -0.0138 16.2621838 Err 0.5D-05 /A -/A 168: 9 0 9 8 0 8 F 18 16 /A 16.2623354 -0.0105 16.2623249 Err 0.5D-05 /A -/A 169: 9 K 0 8 K 0 F 20 18 /E 16.2621180 0.0121 16.2621301 Err 0.5D-05 /E -/E 170: 9 K 0 8 K 0 F 16 14 /E 16.2621245 0.0056 16.2621301 Err 0.5D-05 /E -/E 171: 9 K 0 8 K 0 F 18 16 /E 16.2622623 0.0129 16.2622752 Err 0.5D-05 /E -/E Maximum (obs-calc)/err in line 146 0.0000188 Lines fitted = 171 MICROWAVE RMS = 0.005848 MHz = [(sum(o-c)^2)/n]^(1/2) RMS ERROR = 1.125511 = [(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 1 171 0.005644 0.005974 Parameters and Errors BJ 0.967838512 { 0.000000155} BK 2.851383762 { 0.000014704} B- 0.116012896 { 0.000000287} DJ 0.169966E-6 { 0.002116E-6} DJK 1.085776E-6 { 0.051223E-6} dj 0.040865E-6 { 0.001688E-6} chi_z 0.001346602 { 0.000004012} chi_- 0.006213517 { 0.000014026} \F 160.736125793 { derived} V1n 11566.066569 { 9.607440} \rho 0.017321204 { derived} beta 0.290967504 { 0.001940152} F0 158.321800000 { fixed } \delta 0.812272270 { derived} Standard Deviation 0.005835 MHz ------------------------------------- B = 1 Rotational Constants and Errors (in GHz) B_z 3.819222274 0.000014722 B_x 1.083851407 0.000000390 B_y 0.851825616 0.000000247 Ray's kappa -0.84362 F0(calc) 158.321800000 0.000000000 I_alpha 3.192100330 0.000000000 <(i,x) <(i,y) <(i,z) 43.4602 90.0000 46.5398 d<(i,x) d<(i,y) d<(i,z) 0.2013 0.0000 0.2013 V1n_1 4.615223 kj +/- 0.003834 kj 1.102300 kcal +/- 0.000916 kcal 385.802399 cm +/- 0.3205 cm s= 31.980826 Errors of fitted linear combinations 0.000000155 0.000014704 0.000000287 0.000000002 0.000000051 0.000000002 0.000004012 0.000014026 9.607440416 0.001940152 Correlation Matrix of fitted linear combinations BJ 1.000 BK -0.113 1.000 B- 0.510 0.312 1.000 DJ 0.587 0.518 0.494 1.000 DJK 0.543 -0.556 0.160 -0.254 1.000 dj 0.587 0.177 0.870 0.678 0.105 1.000 chi_z 0.017 -0.001 -0.008 0.008 0.011 -0.006 1.000 chi_- 0.023 0.046 0.092 0.028 0.011 0.066 -0.017 1.000 V1n_1 0.101 0.004 0.118 0.033 -0.055 0.016 0.006 0.010 1.000 beta_1 -0.120 0.027 -0.136 -0.022 0.023 -0.031 -0.005 -0.007 -0.988 1.000 strongest correlation between 10 and 9 (-0.9878) Freedom Cofreedom Matrix of linear comb. BJ 0.281 BK 0.886 0.404 B- 0.855 0.756 0.277 DJ 0.612 0.736 0.792 0.227 DJK 0.695 0.899 0.982 0.836 0.407 dj 0.829 0.792 0.427 0.685 0.975 0.245 chi_z 1.000 1.000 1.000 1.000 1.000 1.000 0.999 chi_- 1.000 0.999 0.998 1.000 1.000 0.999 1.000 0.994 V1n_1 0.997 0.997 0.995 1.000 0.999 1.000 1.000 1.000 0.149 beta_1 0.996 0.995 0.991 1.000 1.000 0.999 1.000 1.000 0.159 0.148 minimum cofreedom between 10 and 9 ( 0.1586) Eigenvalues and Eigenvector Matrix of SVD-FIT 0.110870D-01 -0.062-0.002-0.072-0.039 0.007-0.039-0.001-0.001-0.700 0.705 0.222133D-01 -0.385-0.127-0.441-0.560-0.030-0.563 0.000-0.009 0.075-0.067 0.669226D-01 -0.437 0.491-0.129 0.434-0.590-0.108-0.002-0.001 0.048 0.022 0.111582D+00 0.517-0.107-0.580 0.491 0.085-0.367 0.010-0.025 0.018 0.010 0.300211D+00 0.241 0.687 0.339-0.121 0.321-0.485 0.008 0.031 0.005 0.026 0.983435D+00 0.009-0.023-0.015 0.011-0.010-0.011-0.699 0.714 0.019 0.019 0.101576D+01 0.015 0.016 0.026-0.009-0.008-0.013-0.714-0.698-0.025-0.024 0.124025D+01 0.385-0.290 0.400-0.135-0.664-0.350 0.027 0.013-0.137-0.082 0.199804D+01 -0.104 0.047-0.043 0.086 0.108-0.007 0.003 0.041-0.692-0.697 0.425051D+01 0.415 0.415-0.411-0.463-0.297 0.421-0.002 0.011-0.056-0.060