n-butanol, GTg' conformer ----------------------+++++------------------------------------------------------------- number of transitions: 53 number of constants : 8 -----++++++++++++++++++++++++++++++----------------------------------------------------- 1 12305.0000657480140944244 A Reduction-A, Representation-I.r 1 2330.5766385684869419492 B 1 2146.2345439343471298344 C 1 0.0007131166058260447 DJ 1 -0.0025430610951709602 DJK 1 0.0730058432961983722 DK 1 0.0001370477996879293 dJ 1 0.0024532564733603934 dK ---------------------------------------------------------------------------------------- J' K-1' K+1' J K-1 K+1 frequency error fit? blend Note +++++-----+++++-----+++++-----++++++++++++++++++++---------------+++++----------++++++++ ! ! Transitions from Kawaashima et al. J.Phys.Chem.A 125, 1166 (2021) ! 1/ in cases of resolved A,E splitting AE averaged transitions were used ! 2/ measurement uncertainty set at that of the reported internal rotation fit ! ! mu_a ! 1 0 1 0 0 0 4476.808000 0.002800 1 2 0 2 1 0 1 8951.068500 0.002800 1 2 1 2 1 1 1 8769.283400 0.002800 1 2 1 1 1 1 0 9137.939200 0.002800 1 3 0 3 2 0 2 13420.235900 0.002800 1 3 1 3 2 1 2 13152.317800 0.002800 1 3 1 2 2 1 1 13705.263300 0.002800 1 3 2 2 2 2 1 13430.424500 0.002800 1 3 2 1 2 2 0 13440.536900 0.002800 1 avg 4 0 4 3 0 3 17881.784300 0.002800 1 4 1 4 3 1 3 17533.457600 0.002800 1 4 1 3 3 1 2 18270.586800 0.002800 1 4 2 3 3 2 2 17905.174600 0.002800 1 4 2 2 3 2 1 17930.453100 0.002800 1 5 0 5 4 0 4 22333.233500 0.002800 1 5 1 5 4 1 4 21912.121500 0.002800 1 5 1 4 4 1 3 22833.189800 0.002800 1 5 2 4 4 2 3 22378.178400 0.002800 1 5 2 3 4 2 2 22428.645400 0.002800 1 ! ! mu_b ! 1 1 1 0 0 0 14451.168800 0.002800 1 1 1 0 1 0 1 10158.690900 0.002800 1 2 1 2 1 0 1 18743.642900 0.002800 1 2 1 1 2 0 2 10345.562600 0.002800 1 3 1 3 2 0 2 22944.889100 0.002800 1 3 1 2 3 0 3 10630.589600 0.002800 1 4 0 4 3 1 3 8357.126400 0.002800 1 4 1 3 4 0 4 11019.391900 0.002800 1 5 0 5 4 1 4 13156.901400 0.002800 1 5 1 4 5 0 5 11519.345900 0.002800 1 6 0 6 5 1 5 18016.996000 0.002800 1 6 1 5 6 0 6 12139.445600 0.002800 1 avg 7 0 7 6 1 6 22925.789900 0.002800 1 7 1 6 7 0 7 12890.013400 0.002800 1 avg 8 1 7 7 2 6 8843.047100 0.002800 1 8 1 7 8 0 8 13782.344000 0.002800 1 avg ! ! mu_a ! 1 1 0 0 0 0 14635.500600 0.002800 1 1 1 1 1 0 1 9974.360400 0.002800 1 avg 2 1 1 1 0 1 19296.626800 0.002800 1 avg 2 1 2 2 0 2 9792.572600 0.002800 1 3 1 2 2 0 2 24050.825600 0.002800 1 3 1 3 3 0 3 9524.656300 0.002800 1 4 0 4 3 1 2 7251.193000 0.002800 1 4 1 4 4 0 4 9176.330100 0.002800 1 5 0 5 4 1 3 11313.841800 0.002800 1 5 1 5 5 0 5 8755.218600 0.002800 1 6 0 6 5 1 4 15252.867000 0.002800 1 6 1 6 6 0 6 8270.772400 0.002800 1 7 0 7 6 1 5 19057.117900 0.002800 1 avg 7 1 7 7 0 7 7734.123600 0.002800 1 8 0 8 7 1 6 22714.419500 0.002800 1 avg 8 1 7 7 2 5 8526.493500 0.002800 1 8 1 8 8 0 8 7157.814800 0.002800 1 9 1 8 8 2 6 13575.900400 0.002800 1 +++++-----+++++-----+++++-----++++++++++++++++++++---------------+++++----------++++++++ ----------------------------------------------------------------------------------------