AA conformer of valeronitrile ----------------------------------------- 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 (0,1,2,3) = 0 Freq. contributions options (0,1,2) = 1 Number of transitions =300 ----------------------------------------- A = 0 15028.68713 B = 0 1334.107310 C = 0 1263.856699 DJ = 0 0.1458342E-03 DJK = 0 -7.5467800E-03 DK = 0 214.3805000E-03 dJ = 0 0.0220207E-03 dK = 0 0.4816000E-03 HJ = 0 0.00009962E-06 HJK = 0 -0.00646400E-06 HKJ = 0 -0.05301000E-06 HK = 0 4.77000000E-06 hJ = 0 0.00003144E-06 hJK = 0 0.0 hk = 0 0.0 LKKJ = 0 -0.02051E-09 I1: Chi_aa = 0 -2.72667 I1: Chi_bb-cc= 0 -1.37612 --not used-- = 0 .000000000000 --not used-- = 0 .000000000000 --not used-- = 0 .000000000000 --not used-- = 0 .000000000000 --not used-- = 0 .000000000000 --not used-- = 0 .000000000000 --not used-- = 0 .000000000000 --not used-- = 0 .000000000000 --not used-- = 0 .000000000000 --not used-- = 0 .000000000000 --not used-- = 0 .000000000000 --not used-- = 0 .000000000000 --not used-- = 0 .000000000000 mu.a = 1 3.903825625 mu.b = 1 1.664493530 mu.c = 0 0. d = 0 26.9776 k = 0 0.0 ! ! Rotational and centrifugal parameters are fixed at values from ! A-reduction refit of data from Ordu et al., A&A 541 (2012) A121:1-8 ! !----------------------------------------------------------------------- ! 4_14 <- 3_13 (a.R) !----------------------------------------------------------------------- 4 1 4 3 1 3 8 0 6 0 10250.7816 0. 1 4 1 4 3 1 3 6 0 4 0 10250.8406 0. 1 4 1 4 3 1 3 10 0 8 0 10250.8959 0. 1 4 1 4 3 1 3 6 0 4 0 10251.0926 1014.0 1 4 1 4 3 1 3 6 0 4 0 10251.3816 1525.0 1 4 1 4 3 1 3 6 0 4 0 10251.5139 1715.0 1 4 1 4 3 1 3 6 2 4 2 10251.1974 1014.0 1 4 1 4 3 1 3 6 2 4 2 10251.5852 1515.4 1 4 1 4 3 1 3 6 4 4 4 10251.9279 1316.9 1 4 1 4 3 1 3 6 4 4 4 10252.2341 1525.0 1 4 1 4 3 1 3 6 4 4 4 10252.5256 1715.0 1 4 1 4 3 1 3 8 0 6 0 10251.0694 1014.0 1 4 1 4 3 1 3 8 2 6 2 10251.6801 1525.0 1 4 1 4 3 1 3 8 2 6 2 10251.9568 1715.0 1 4 1 4 3 1 3 8 4 6 4 10251.3412 1009.1 1 4 1 4 3 1 3 10 4 8 4 10251.2478 1014.0 1 4 1 4 3 1 3 10 4 8 4 10251.6168 1515.4 1 4 1 4 3 1 3 10 4 8 4 10251.7962 1715.0 1 4 1 4 3 1 3 10 6 8 6 10251.4053 1009.1 1 4 1 4 3 1 3 10 6 8 6 10251.7454 1315.0 1 4 1 4 3 1 3 10 6 8 6 10252.0207 1525.0 1 4 1 4 3 1 3 10 6 8 6 10252.3094 1715.0 1 4 1 4 3 1 3 10 8 8 8 10251.6827 1009.1 1 4 1 4 3 1 3 10 8 8 8 10252.2384 1316.9 1 !----------------------------------------------------------------------- ! 4_04 <- 3_03 (a.R) !----------------------------------------------------------------------- 4 0 4 3 0 3 6 0 4 0 10389.0660 0. 1 4 0 4 3 0 3 8 0 6 0 10389.1217 0. 1 4 0 4 3 0 3 10 0 8 0 10389.1448 0. 1 4 0 4 3 0 3 6 0 6 0 10390.2970 0. 1 4 0 4 3 0 3 6 0 4 0 10388.7936 3033.8 1 4 0 4 3 0 3 6 0 4 0 10388.5744 4043.3 1 4 0 4 3 0 3 6 0 4 0 10388.2772 5050.5 1 4 0 4 3 0 3 6 0 4 0 10388.0976 5565.9 1 4 0 4 3 0 3 6 0 4 0 10387.8987 6055.8 1 4 0 4 3 0 3 6 0 4 0 10387.6936 6576.5 1 4 0 4 3 0 3 6 2 4 2 10388.9194 3033.8 1 4 0 4 3 0 3 6 2 4 2 10388.7677 4043.3 1 4 0 4 3 0 3 6 2 4 2 10388.5513 5062.4 1 4 0 4 3 0 3 6 2 4 2 10388.4239 5565.0 1 4 0 4 3 0 3 6 4 4 4 10389.3004 3033.8 1 4 0 4 3 0 3 6 4 4 4 10389.3754 4043.3 1 4 0 4 3 0 3 6 4 4 4 10389.4018 5062.4 1 ! same Stark lobe but QSTARK labelling switch 4 0 4 3 0 3 6 4 6 4 10389.3968 5565.0 1 4 0 4 3 0 3 6 4 6 4 10389.3908 6055.8 1 4 0 4 3 0 3 6 4 6 4 10389.3843 6567.3 1 4 0 4 3 0 3 6 4 6 4 10389.3836 7066.9 1 4 0 4 3 0 3 8 0 6 0 10388.4853 5062.4 1 4 0 4 3 0 3 8 2 6 2 10389.0550 2019.1 1 4 0 4 3 0 3 8 2 6 2 10388.9289 4043.3 1 4 0 4 3 0 3 8 2 6 2 10388.8963 5062.4 1 4 0 4 3 0 3 8 2 6 2 10388.8958 5565.0 1 4 0 4 3 0 3 8 2 6 2 10388.8978 6055.8 1 4 0 4 3 0 3 8 2 6 2 10388.9070 6567.3 1 4 0 4 3 0 3 8 2 6 2 10388.9170 7069.8 1 4 0 4 3 0 3 8 4 6 4 10389.2330 3033.8 1 4 0 4 3 0 3 8 4 6 4 10389.4566 4038.8 1 4 0 4 3 0 3 8 4 6 4 10389.8459 5062.4 1 4 0 4 3 0 3 8 6 6 6 10389.2517 2019.1 1 4 0 4 3 0 3 8 6 6 6 10389.4297 3033.8 1 4 0 4 3 0 3 8 6 6 6 10389.6693 4038.8 1 4 0 4 3 0 3 8 6 6 6 10389.9687 5062.4 1 4 0 4 3 0 3 8 6 6 6 10390.2873 6055.8 1 4 0 4 3 0 3 10 4 8 4 10389.0809 2019.1 1 4 0 4 3 0 3 10 4 8 4 10388.8311 4043.3 1 4 0 4 3 0 3 10 4 8 4 10388.6063 5062.4 1 4 0 4 3 0 3 10 4 8 4 10388.4691 5565.0 1 4 0 4 3 0 3 10 6 8 6 10389.1946 3033.8 1 4 0 4 3 0 3 10 6 8 6 10389.1980 4043.3 1 4 0 4 3 0 3 10 6 8 6 10389.1892 5062.4 1 4 0 4 3 0 3 10 6 8 6 10389.1919 5565.0 1 4 0 4 3 0 3 10 6 8 6 10389.1874 6044.8 1 4 0 4 3 0 3 10 6 8 6 10389.1854 6567.3 1 4 0 4 3 0 3 10 6 8 6 10389.1840 7069.8 1 4 0 4 3 0 3 10 8 8 8 10389.3067 2019.1 1 4 0 4 3 0 3 10 8 8 8 10389.5178 3033.8 1 4 0 4 3 0 3 10 8 8 8 10389.8060 4043.3 1 4 0 4 3 0 3 10 8 8 8 10390.1958 5062.4 1 4 0 4 3 0 3 10 8 8 8 10390.4296 5565.0 1 end