n-butanol, TGt conformer ----------------------+++++------------------------------------------------------------- number of transitions: 93 number of constants : 8 -----++++++++++++++++++++++++++++++----------------------------------------------------- 1 12467.7415597117524157511 A Reduction-A, Representation-I.r 1 2371.5177110614035882463 B 1 2189.4793994294846015691 C 1 0.0007562594175322311 DJ 1 -0.0061802838718497156 DJK 1 0.0602546232287376610 DK 1 0.0001248396139448049 dJ 1 0.0020631499761117199 dK ---------------------------------------------------------------------------------------- J' K-1' K+1' J K-1 K+1 frequency error fit? blend Note +++++-----+++++-----+++++-----++++++++++++++++++++---------------+++++----------++++++++ ! ! AE-averaged transitions, Kawashima et al. J.Phys.Chem.A 125, 1166 (2021) ! 1/ only transitions with Ka <= 2 used in the fit ! 2/ measurement uncertainty set at that of the reported internal rotation fit ! ! mu_a ! 2 0 2 1 0 1 9119.531000 0.002300 1 2 1 2 1 1 1 8939.968300 0.002300 1 2 1 1 1 1 0 9304.021300 0.002300 1 3 0 3 2 0 2 13673.156900 0.002300 1 3 1 3 2 1 2 13408.401000 0.002300 1 3 1 2 2 1 1 13954.445800 0.002300 1 3 2 2 2 2 1 13683.063700 0.002300 1 3 2 1 2 2 0 13692.806400 0.002300 1 4 0 4 3 0 3 18219.434100 0.002300 1 4 1 4 3 1 3 17875.000900 0.002300 1 4 1 3 3 1 2 18602.933700 0.002300 1 4 2 3 3 2 2 18242.098800 0.002300 1 4 2 2 3 2 1 18266.457000 0.002300 1 4 3 2 3 3 1 18249.081950 0.002300 0 4 3 1 3 3 0 18249.152950 0.002300 0 ! 5 0 5 4 0 4 22755.968700 0.002300 1 5 1 5 4 1 4 22339.203300 0.002300 1 5 1 4 4 1 3 23248.800000 0.002300 1 5 2 4 4 2 3 22799.439300 0.002300 1 5 2 3 4 2 2 22848.076500 0.002300 1 5 3 3 4 3 2 22813.380700 0.002300 0 5 3 2 4 3 1 22813.713550 0.002300 0 ! ! mu_b ! 1 1 1 0 0 0 14657.173850 0.002300 1 1 1 0 1 0 1 10278.208300 0.002300 1 2 1 2 1 0 1 19036.149400 0.002300 1 2 1 1 2 0 2 10462.699000 0.002300 1 3 1 3 2 0 2 23325.020400 0.002300 1 3 2 1 2 2 0 13692.806400 0.002300 0 ed mu_a 2 2 1 3 1 2 16333.445100 0.002300 1 2 2 0 3 1 3 17428.024400 0.002300 1 3 1 2 3 0 3 10743.988300 0.002300 1 4 0 4 3 1 3 8567.569600 0.002300 1 3 2 2 4 1 3 11413.576700 0.002300 1 4 1 3 4 0 4 11127.488400 0.002300 1 5 0 5 4 1 4 13448.538800 0.002300 1 4 2 2 5 1 5 9173.077800 0.002300 1 5 1 4 5 0 5 11620.319400 0.002300 1 6 0 6 5 1 5 18389.804300 0.002300 1 5 3 3 6 2 4 23430.282000 0.002300 0 5 3 2 6 2 5 23601.002200 0.002300 0 6 1 5 6 0 6 12231.156700 0.002300 1 7 0 7 6 1 6 23380.148300 0.002300 1 6 3 4 7 2 5 18766.717200 0.002300 0 6 3 3 7 2 6 19073.614900 0.002300 0 7 1 6 7 0 7 12969.999000 0.002300 1 8 1 7 7 2 6 9115.701700 0.002300 1 7 3 5 8 2 6 14054.246600 0.002300 0 7 3 4 8 2 7 14564.829700 0.002300 0 8 1 7 8 0 8 13847.801200 0.002300 1 9 1 8 8 2 7 14449.141900 0.002300 1 8 3 6 9 2 7 9280.578100 0.002300 0 8 3 5 9 2 8 10080.596500 0.002300 0 9 1 8 9 0 9 14875.962200 0.002300 1 10 1 9 9 2 8 19856.778600 0.002300 1 10 1 10 9 2 7 9092.404200 0.002300 1 10 1 9 10 0 10 16065.668000 0.002300 1 11 1 11 10 2 8 12209.658600 0.002300 1 11 1 10 11 0 11 17427.096800 0.002300 1 12 1 11 12 0 12 18968.575200 0.002300 1 ! ! mu_c ! 1 1 0 0 0 0 14839.202400 0.002300 1 1 1 1 1 0 1 10096.178200 0.002300 1 2 1 1 1 0 1 19582.228800 0.002300 1 2 1 2 2 0 2 9916.619100 0.002300 1 2 2 1 3 1 3 17425.570200 0.002300 1 2 2 0 3 1 2 16335.895400 0.002300 1 3 1 3 3 0 3 9651.863100 0.002300 1 4 0 4 3 1 2 7475.446000 0.002300 1 3 2 2 4 1 4 13233.632000 0.002300 1 3 2 1 4 1 3 11425.768600 0.002300 1 4 1 4 4 0 4 9307.430100 0.002300 1 5 0 5 4 1 3 11628.480000 0.002300 1 4 2 3 5 1 5 9136.527200 0.002300 1 5 1 5 5 0 5 8890.663900 0.002300 1 6 0 6 5 1 4 15660.148600 0.002300 1 5 3 3 6 2 5 23600.331800 0.002300 0 5 3 2 6 2 4 23430.954600 0.002300 0 6 1 6 6 0 6 8410.679700 0.002300 1 7 0 7 6 1 5 19559.669600 0.002300 1 6 3 4 7 2 6 19071.861700 0.002300 0 6 3 3 7 2 5 18768.471500 0.002300 0 7 1 7 7 0 7 7878.221900 0.002300 1 8 0 8 7 1 6 23315.241800 0.002300 1 8 1 7 7 2 5 8810.558000 0.002300 1 7 3 5 8 2 7 14560.532400 0.002300 0 7 3 4 8 2 6 14058.545100 0.002300 0 8 1 8 8 0 8 7305.425200 0.002300 1 9 1 8 8 2 6 13942.857400 0.002300 1 8 3 6 9 2 8 10071.177700 0.002300 0 8 3 5 9 2 7 9289.997700 0.002300 0 10 1 10 9 2 8 9883.004000 0.002300 1 10 1 9 9 2 7 19066.181200 0.002300 1 11 1 11 10 2 9 13385.616100 0.002300 1 12 1 12 11 2 10 16785.837500 0.002300 1 +++++-----+++++-----+++++-----++++++++++++++++++++---------------+++++----------++++++++ ----------------------------------------------------------------------------------------