tertiary butyl chloride (refitted constants, all measurements) ----------------------------------------- Fit frequencies(1) or differences(2) = 1 spin of nucleus 1 (units of 1/2) = 3 spin of nucleus 2 (units of 1/2) = 0 Number of iterations = 2 Excess in F and J over value in data = 1 Dump options (0,1,2) = 0 Freq. contributions options (0,1,2) = 0 Number of transitions =500 ----------------------------------------- A = 0 4500. B = 0 3017.71793 C = 0 0.0 DJ = 0 .00052790 DJK = 0 .0012375 DK = 0 0.0 dJ = 0 .000000000000 dK = 0 .000000000000 HJ = 0 .0000000 HJK = 0 .000000000000 HKJ = 0 .000000000000 HK = 0 .000000000000 hJ = 0 .000000000000 hJK = 0 .000000000000 hK = 0 .000000000000 LKKJ = 0 .000000000000 I1: X.aa = 0 -67.3155 I1: Xbb-Xcc = 0 0.000000000000 I1: Xab = 0 0.000000000000 I1: XJ.a = 0 0.000000000000 I1: XK.a = 0 0.000000000000 I1: XJbc = 0 .000000000000 I1: Ma = 0 .000 I1: Mb-c = 0 .000000000000 I1: Tr = 0 -.00250 = 0 .000000000000 = 0 .000000000000 = 0 .000000000000 = 0 .000000000000 = 0 .000000000000 = 0 .000000000000 mu.a = 1 2.1816932 mu.b = 0 .0 mu.c = 0 .0 d = 0 26.96 k 0 .0 ! ! zero field frequencies are from: M.C.Ellis, A.C.Legon, C.A.Rego, D.J.Millen, ! J.Mol.Struct. 200,353-359(1989) ! constants are from refit of FTMW J''=0,1,2 and MMW J''=5,20,24,31 ! from J.H.Carpenter, R.Crane, J.G.Smith - J.Mol.Spectrosc. 141,91-103(1990) ! 1 0 1 0 0 0 3 1 3 1 6021.9824 0. 1 1 0 1 0 0 0 5 1 3 1 6038.8079 0. 1 1 0 1 0 0 0 1 1 3 1 6052.2750 0. 1 2 0 2 1 0 1 3 1 1 1 12054.0418 0. 1 2 0 2 1 0 1 5 1 5 1 12055.4716 0. 1 2 0 2 1 0 1 3 1 5 1 12067.5077 0. 1 2 0 2 1 0 1 1 1 1 1 12070.8519 0. 1 2 0 2 1 0 1 5 1 3 1 12072.3009 0. 1 2 0 2 1 0 1 7 1 5 1 12072.3009 0. 1 2 0 2 1 0 1 3 1 3 1 12084.3348 0. 1 2 0 2 1 0 1 1 1 3 1 12101.1455 0. 1 2 1 1 1 1 0 5 1 3 1 12058.1262 0. 1 2 1 1 1 1 0 3 1 3 1 12064.1398 0. 1 2 1 1 1 1 0 5 1 5 1 12066.5380 0. 1 2 1 1 1 1 0 7 1 5 1 12074.9435 0. 1 2 1 1 1 1 0 3 1 1 1 12079.2878 0. 1 2 1 1 1 1 0 1 1 1 1 12087.7111 0. 1 2 0 2 1 0 1 3 1 1 1 12054.0418 0. 0 2 0 2 1 0 1 3 1 1 1 12053.6534 7589.1 1 * 2 0 2 1 0 1 3 1 1 1 12052.8091 10042.1 1 2 0 2 1 0 1 5 1 5 1 12055.4716 0. 0 2 0 2 1 0 1 5 1 5 1 12054.7329 7589.8 1 * 2 0 2 1 0 1 5 1 5 1 12054.6416 10042.1 1 2 0 2 1 0 1 5 3 5 3 12054.8337 7589.8 1 * 2 0 2 1 0 1 5 3 5 3 12053.8627 10042.1 1 2 0 2 1 0 1 5 5 5 5 12056.7708 7589.8 1 * 2 0 2 1 0 1 5 5 5 5 12057.7234 10042.1 1 2 0 2 1 0 1 1 1 1 1 12070.8519 0. 0 2 0 2 1 0 1 1 1 1 1 12070.7200 5997.0 1 2 0 2 1 0 1 5 1 3 1 12072.3009 0. 0 * 2 0 2 1 0 1 5 1 3 1 12072.4045 2001.2 1 * 2 0 2 1 0 1 5 1 3 1 12072.4627 2501.4 1 * 2 0 2 1 0 1 5 1 3 1 12072.5329 2998.7 1 * 2 0 2 1 0 1 5 1 3 1 12072.7966 4379.8 1 * 2 0 2 1 0 1 5 1 3 1 12072.9511 5010.4 1 2 0 2 1 0 1 5 1 3 1 12073.0475 5371.6 1 * 2 0 2 1 0 1 5 1 3 1 12073.2466 5997.0 1 2 0 2 1 0 1 5 1 3 1 12073.3129 6201.6 1 * 2 0 2 1 0 1 5 1 3 1 12073.5681 6929.6 1 * 2 0 2 1 0 1 5 1 3 1 12073.5947 7003.0 1 2 0 2 1 0 1 5 1 3 1 12073.8239 7591.7 1 * 2 0 2 1 0 1 5 1 3 1 12074.0021 8002.8 1 2 0 2 1 0 1 5 1 3 1 12074.0868 8201.7 1 * 2 0 2 1 0 1 5 1 3 1 12074.3463 8758.6 1 * 2 0 2 1 0 1 5 1 3 1 12074.4699 9003.0 1 2 0 2 1 0 1 5 1 3 1 12074.6142 9301.0 1 * 2 0 2 1 0 1 5 1 3 1 12074.8778 9799.3 1 * 2 0 2 1 0 1 5 1 3 1 12075.1436 10278.6 1 * 2 0 2 1 0 1 5 1 3 1 12075.4070 10728.7 1 * 2 0 2 1 0 1 5 1 3 1 12075.6767 11173.8 1 * 2 0 2 1 0 1 5 1 3 1 12075.9458 11598.1 1 * 2 0 2 1 0 1 5 1 3 1 12076.2033 12000.1 1 * 2 0 2 1 0 1 5 3 3 3 12072.2108 2001.2 1 * 2 0 2 1 0 1 5 3 3 3 12072.1649 2501.4 1 * 2 0 2 1 0 1 5 3 3 3 12072.1099 2998.7 1 * 2 0 2 1 0 1 5 3 3 3 12071.9186 4379.8 1 * 2 0 2 1 0 1 5 3 3 3 12071.7537 5371.6 1 * 2 0 2 1 0 1 5 3 3 3 12071.6075 6201.6 1 * 2 0 2 1 0 1 5 3 3 3 12071.4780 6929.6 1 * 2 0 2 1 0 1 5 3 3 3 12071.3641 7591.7 1 * 2 0 2 1 0 1 5 3 3 3 12071.2671 8201.7 1 * 2 0 2 1 0 1 5 3 3 3 12071.1883 8758.6 1 * 2 0 2 1 0 1 5 3 3 3 12071.1203 9301.0 1 * 2 0 2 1 0 1 5 3 3 3 12071.0716 9799.3 1 * 2 0 2 1 0 1 5 3 3 3 12071.0374 10278.6 1 * 2 0 2 1 0 1 5 3 3 3 12071.0172 10728.7 1 * 2 0 2 1 0 1 5 3 3 3 12071.0099 11173.8 1 * 2 0 2 1 0 1 5 3 3 3 12071.0204 11598.1 1 * 2 0 2 1 0 1 5 3 3 3 12071.0353 12000.1 1 * 2 0 2 1 0 1 7 1 5 1 12072.3009 0. 0 * 2 0 2 1 0 1 7 1 5 1 12072.2480 2001.2 1 * 2 0 2 1 0 1 7 1 5 1 12072.2238 2501.4 1 * 2 0 2 1 0 1 7 1 5 1 12072.1941 2998.7 1 * 2 0 2 1 0 1 7 1 5 1 12072.0920 4379.8 1 * 2 0 2 1 0 1 7 1 5 1 12072.0425 5010.4 1 2 0 2 1 0 1 7 1 5 1 12072.0153 5371.6 1 * 2 0 2 1 0 1 7 1 5 1 12071.9715 5997.0 1 2 0 2 1 0 1 7 1 5 1 12071.9591 6201.6 1 * 2 0 2 1 0 1 7 1 5 1 12071.9236 6929.6 1 * 2 0 2 1 0 1 7 1 5 1 12071.9204 7003.0 1 2 0 2 1 0 1 7 1 5 1 12071.9062 7591.7 1 * 2 0 2 1 0 1 7 1 5 1 12071.9179 8002.8 1 2 0 2 1 0 1 7 1 5 1 12071.9201 8201.7 1 * 2 0 2 1 0 1 7 1 5 1 12071.9467 8758.6 1 * 2 0 2 1 0 1 7 1 5 1 12071.9673 9003.0 1 2 0 2 1 0 1 7 1 5 1 12071.9954 9301.0 1 * 2 0 2 1 0 1 7 1 5 1 12072.0637 9799.3 1 * 2 0 2 1 0 1 7 1 5 1 12072.1530 10278.6 1 * 2 0 2 1 0 1 7 1 5 1 12072.2588 10728.7 1 * 2 0 2 1 0 1 7 1 5 1 12072.3864 11173.8 1 * 2 0 2 1 0 1 7 1 5 1 12072.5304 11598.1 1 * 2 0 2 1 0 1 7 1 5 1 12072.6864 12000.1 1 * 2 0 2 1 0 1 7 3 5 3 12072.2915 2001.2 0 * 2 0 2 1 0 1 7 3 5 3 12072.2890 2501.4 0 * 2 0 2 1 0 1 7 3 5 3 12072.2861 2998.7 0 * 2 0 2 1 0 1 7 3 5 3 12072.2657 4379.8 1 * 2 0 2 1 0 1 7 3 5 3 12072.2427 5010.4 1 2 0 2 1 0 1 7 3 5 3 12072.2244 5371.6 1 * 2 0 2 1 0 1 7 3 5 3 12072.1815 5997.0 1 2 0 2 1 0 1 7 3 5 3 12072.1648 6201.6 1 * 2 0 2 1 0 1 7 3 5 3 12072.0877 6929.6 1 * 2 0 2 1 0 1 7 3 5 3 12072.0775 7003.0 1 2 0 2 1 0 1 7 3 5 3 12071.9910 7591.7 1 * 2 0 2 1 0 1 7 3 5 3 12071.9179 8002.8 1 2 0 2 1 0 1 7 3 5 3 12071.8755 8201.7 1 * 2 0 2 1 0 1 7 3 5 3 12071.7439 8758.6 1 * 2 0 2 1 0 1 7 3 5 3 12071.6809 9003.0 1 2 0 2 1 0 1 7 3 5 3 12071.5932 9301.0 1 * 2 0 2 1 0 1 7 3 5 3 12071.4256 9799.3 1 * 2 0 2 1 0 1 7 3 5 3 12071.3413 10026.2 1 2 0 2 1 0 1 7 3 5 3 12071.2437 10278.6 1 * 2 0 2 1 0 1 7 3 5 3 12070.6059 11598.1 1 * 2 0 2 1 0 1 7 3 5 3 12070.3764 12000.1 1 * 2 0 2 1 0 1 7 5 5 5 12072.4045 2001.2 1 * 2 0 2 1 0 1 7 5 5 5 12072.4627 2501.4 1 * 2 0 2 1 0 1 7 5 5 5 12072.5329 2998.7 1 * 2 0 2 1 0 1 7 5 5 5 12072.7966 4379.8 1 * 2 0 2 1 0 1 7 5 5 5 12072.9511 5010.4 1 2 0 2 1 0 1 7 5 5 5 12073.0475 5371.6 1 * 2 0 2 1 0 1 7 5 5 5 12073.2280 5997.0 1 2 0 2 1 0 1 7 5 5 5 12073.2916 6201.6 1 * 2 0 2 1 0 1 7 5 5 5 12073.5412 6929.6 1 * 2 0 2 1 0 1 7 5 5 5 12073.5718 7003.0 1 2 0 2 1 0 1 7 5 5 5 12073.7997 7591.7 1 * 2 0 2 1 0 1 7 5 5 5 12073.9716 8002.8 1 2 0 2 1 0 1 7 5 5 5 12074.0564 8201.7 1 * 2 0 2 1 0 1 7 5 5 5 12074.3082 8758.6 1 * 2 0 2 1 0 1 7 5 5 5 12074.4190 9003.0 1 2 0 2 1 0 1 7 5 5 5 12074.5673 9301.0 1 * 2 0 2 1 0 1 7 5 5 5 12074.8139 9799.3 1 * 2 0 2 1 0 1 7 5 5 5 12075.0723 10278.6 1 * 2 0 2 1 0 1 7 5 5 5 12075.3282 10728.7 1 * 2 0 2 1 0 1 7 5 5 5 12075.5871 11173.8 1 * 2 0 2 1 0 1 7 5 5 5 12075.8500 11598.1 1 * 2 0 2 1 0 1 7 5 5 5 12076.1035 12000.1 1 * end * gwiazdki oznaczaja ostatnia partie pomiarow