tertiary butyl 79.bromide (Legon,Carpenter,Smith... const.) ----------------------------------------- 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 =100 ----------------------------------------- A = 0 4519. B = 0 2044.23969 C = 0 0.0 DJ = 0 .0002952 DJK = 0 .0008933 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 = 0 511.9797 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 .0 I1: Mb-c = 0 .000000000000 I1: Tr = 0 -.01046 = 0 .000000000000 = 0 .000000000000 = 0 .000000000000 = 0 .000000000000 = 0 .000000000000 = 0 .000000000000 mu.a = 1 2.25736 mu.b = 0 .0 mu.c = 0 .0 d = 0 26.96 k 0 .0 3 0 3 2 0 2 3 1 1 1 12291.2888 0. 1 3 0 3 2 0 2 3 1 1 1 12291.4855 6010.3 1 3 0 3 2 0 2 3 1 1 1 12291.6390 8002.6 1 3 0 3 2 0 2 3 1 1 1 12291.8437 10022.9 1 3 0 3 2 0 2 3 1 1 1 12292.0965 12006. 1 3 0 3 2 0 2 3 1 3 1 12161.9490 0. 1 3 0 3 2 0 2 3 1 3 1 12162.1851 6010.3 1 3 0 3 2 0 2 3 3 3 3 12161.7237 6010.3 1 3 0 3 2 0 2 5 1 3 1 12290.436 0. 1 3 0 3 2 0 2 5 1 3 1 12290.6211 6010.3 1 3 0 3 2 0 2 5 1 3 1 12290.7602 8002.6 1 3 0 3 2 0 2 5 1 3 1 12290.9368 10022.9 1 3 0 3 2 0 2 5 1 3 1 12291.1403 12006. 1 3 0 3 2 0 2 5 1 5 1 12200.616 0. 1 3 0 3 2 0 2 7 1 5 1 12259.3472 0. 1 3 0 3 2 0 2 7 5 5 5 12259.5967 6010.3 1 3 0 3 2 0 2 7 5 5 5 12260.0240 10022.9 1 3 0 3 2 0 2 7 5 5 5 12260.3124 12006. 1 3 0 3 2 0 2 7 1 7 1 12387.571 0. 1 3 0 3 2 0 2 7 3 7 3 12387.3680 6009.4 1 3 0 3 2 0 2 7 7 7 7 12388.0127 6009.4 1 3 0 3 2 0 2 7 7 7 7 12388.3583 8010.9 1 3 0 3 2 0 2 7 7 7 7 12388.8124 10022.9 1 3 0 3 2 0 2 7 7 7 7 12389.3531 12006. 1 3 0 3 2 0 2 9 1 7 1 12259.4488 0. 1 3 0 3 2 0 2 9 1 7 1 12259.2039 6010.3 1 3 0 3 2 0 2 9 1 7 1 12259.0171 8002.6 1 3 0 3 2 0 2 9 1 7 1 12258.7805 10022.9 1 3 0 3 2 0 2 9 1 7 1 12258.4945 12006. 1 3 0 3 2 0 2 9 3 7 3 12259.0630 12006. 1 3 0 3 2 0 2 9 5 7 5 12259.6277 6010.3 1 3 0 3 2 0 2 9 5 7 5 12259.7677 8002.6 1 3 0 3 2 0 2 9 5 7 5 12259.9592 10022.9 1 3 0 3 2 0 2 9 5 7 5 12260.1867 12006. 1 3 0 3 2 0 2 9 7 7 7 12260.0451 6010.3 1 3 0 3 2 0 2 9 7 7 7 12260.5090 8002.6 1 3 0 3 2 0 2 9 7 7 7 12261.1126 10022.9 1 3 0 3 2 0 2 9 7 7 7 12261.8352 12006. 1 end