methyl cyanide, ground state, 4.I.2001r. ----------------------------------------- Fit frequencies(1) or differences(2) = 1 spin of nucleus 1 (units of 1/2) = 2 spin of nucleus 2 (units of 1/2) = 0 Number of iterations = 3 Excess in F and J over value in data = 2 Dump options (0,1,2) = 0 Freq. contributions options (0,1,2) = 0 Number of transitions = 28 ----------------------------------------- A = 0 158099.06 B = 0 9198.899299 C = 0 9198.899299 DJ = 0 0.0038048 DJK = 0 0.177417 DK = 0 2.832 dJ = 0 0.0 dK = 0 0.0 HJ = 0 -0.0000000140 HJK = 0 0.000001071 HKJ = 0 0.000006006 HK = 0 0.000155 hJ = 0 0.0 hJK = 0 0.0 hK = 0 0.0 LKKJ = 0 0.0 I1: X.aa = 0 -4.225340000000 I1: Xbb-Xcc = 0 0.0 I1: Xab = 0 0.0 I1: XJ.aa = 0 0.0 I1: XK.aa = 0 0.0 I1: XJ.b-c = 0 0.0 I1: Maa = 0 -0.0007 I1: Mbb-Mcc = 0 0.0 I1: Trace(M) = 0 -0.0044 I1: X.d = 0 0.0 --not used-- = 0 0.0 --not used-- = 0 0.0 --not used-- = 0 0.0 --not used-- = 0 0.0 --not used-- = 0 0.0 mu.a = 0 3.92197 mu.b = 0 0.0 mu.c = 0 0.0 d = 1 26.964 k = 0 0.0 1 0 1 0 0 0 2 2 2 2 18396.7240 0. 1 1 0 1 0 0 0 2 0 2 0 0.0 3801.6 0 1 0 1 0 0 0 2 2 2 2 18398.0772 3801.6 1 1 0 1 0 0 0 2 0 2 0 18398.6931 5381.4 1 1 0 1 0 0 0 2 2 2 2 18399.1758 5381.4 1 1 0 1 0 0 0 2 0 2 0 18399.6741 6584.6 1 1 0 1 0 0 0 2 2 2 2 18400.2035 6584.6 1 1 0 1 0 0 0 2 0 2 0 18400.6551 7599.7 1 1 0 1 0 0 0 2 2 2 2 18401.2071 7601.3 1 1 0 1 0 0 0 2 0 2 0 18401.6399 8502.3 1 1 0 1 0 0 0 2 2 2 2 18402.2098 8501.8 1 ! 1 0 1 0 0 0 4 0 2 0 18397.9928 0. 1 1 0 1 0 0 0 4 0 2 0 18399.6106 3799.8 1 1 0 1 0 0 0 4 2 2 2 18399.8703 3799.8 1 1 0 1 0 0 0 4 0 2 0 18400.8726 5381.4 1 1 0 1 0 0 0 4 2 2 2 18402.0087 5381.4 1 1 0 1 0 0 0 4 0 2 0 18401.9722 6584.6 1 1 0 1 0 0 0 4 2 2 2 18404.2012 6585.5 1 1 0 1 0 0 0 4 0 2 0 18403.0154 7601.3 1 1 0 1 0 0 0 4 2 2 2 18406.4120 7601.3 1 1 0 1 0 0 0 0 0 2 0 18404.0374 8501.8 1 1 0 1 0 0 0 4 2 2 2 18408.6569 8500.9 1 ! 1 0 1 0 0 0 0 0 2 0 18399.8919 0. 1 1 0 1 0 0 0 0 0 2 0 18401.5055 3799.8 1 1 0 1 0 0 0 0 0 2 0 18403.4798 5381.4 1 1 0 1 0 0 0 0 0 2 0 18405.5990 6585.5 1 1 0 1 0 0 0 0 0 2 0 18407.7810 7601.3 1 1 0 1 0 0 0 4 0 2 0 18409.9955 8500.9 1 end ------------------------------------------------------------------------ The assumesd values for the various constants are from the following sources: dipole moment: J.Gadhi,A.Lahrouni,J.Legrand,J.Demaison, J.Chim.Phys. PCB 92,1984-1992(1995) Rotational+hyperfine: D.Boucher,J.Burie,J.Demaison,A.Dubrulle,J.Legrand,B.Segard, J.Mol.Spectrosc. 64,290-294(1977) A,DK,HK; R.Anttila,V.M.Horneman,M.Koivusaari,R.Paso, J.Mol.Spectrosc. 157,198-207(1993) ------------------------------------------------------------------------