n-propanol, Aa or TT conformer, ground vibrational state ----------------------+++++------------------------------------------------------------- number of transitions: 115 number of constants : 15 -----++++++++++++++++++++++++++++++----------------------------------------------------- 1 26401.4764974393001466524 A Reduction-A, Representation-I.r 1 3802.1531789144155482063 B 1 3549.4583278831928510044 C 1 0.0009788248112436407 DJ 1 -0.0006577073332584399 DJK 1 0.1512803826758502834 DK 1 0.0001254751077401985 dJ 1 -0.0063189912127112578 dK 1 -0.0000000273188744131 HJ 0 0.0000000000000000000 HJK 1 -0.0001326856511360455 HKJ 0 0.0000000000000000000 HK 1 -0.0000000075759732825 hJ 0 0.0000000000000000000 hJK 1 0.0003362441251316394 hK ---------------------------------------------------------------------------------------- J' K-1' K+1' J K-1 K+1 frequency error fit? blend Note +++++-----+++++-----+++++-----++++++++++++++++++++---------------+++++----------++++++++ ! ! H.Dreizler and F.Scappini, Z. Naturforsch. 36A, 1187-1191 (1981) ! 1 1 1 0 0 0 29950.800000 0.050000 1 1 1 0 1 0 1 22851.910000 0.050000 1 2 1 2 1 0 1 37049.770000 0.050000 1 3 1 3 2 1 2 21674.320000 0.050000 1 4 3 1 3 3 0 29410.170000 0.150000 2 1.00E+00 4 3 2 3 3 1 29410.170000 0.150000 2 1.00E+00 4 2 3 3 2 2 29404.650000 0.050000 1 4 1 4 3 1 3 28896.650000 0.050000 1 4 0 4 3 0 3 29385.110000 0.050000 1 5 1 4 4 1 3 37379.940000 0.050000 1 5 1 5 4 1 4 36116.650000 0.050000 1 5 0 5 4 1 4 15227.390000 0.050000 1 5 0 5 4 0 4 36715.440000 0.050000 1 6 0 6 5 1 5 23145.850000 0.050000 1 7 0 7 6 1 6 31153.970000 0.050000 1 10 1 9 9 2 8 12125.590000 0.050000 1 11 1 10 10 2 9 20798.280000 0.050000 1 12 1 11 11 2 10 29577.250000 0.050000 1 13 1 12 12 2 11 38458.310000 0.050000 1 16 2 14 15 3 13 8490.920000 0.050000 1 17 2 15 16 3 14 16936.570000 0.050000 1 ! 3 2 2 4 1 3 37510.460000 0.050000 1 4 2 3 5 1 4 29535.120000 0.050000 1 5 2 4 6 1 5 21438.250000 0.050000 1 6 2 5 7 1 6 13221.710000 0.050000 1 8 0 8 7 1 7 39240.560000 0.050000 1 10 3 8 11 2 9 31632.340000 0.050000 1 11 3 9 12 2 10 23850.210000 0.050000 1 12 3 10 13 2 11 15959.590000 0.050000 1 ! 2 1 1 2 0 2 23106.750000 0.050000 1 3 1 2 3 0 3 23492.920000 0.050000 1 4 1 3 4 0 4 24015.150000 0.050000 1 5 1 4 5 0 5 24679.660000 0.050000 1 6 1 5 6 0 6 25494.110000 0.050000 1 7 1 6 7 0 7 26467.720000 0.050000 1 8 1 7 8 0 8 27610.480000 0.050000 1 9 1 8 9 0 9 28933.930000 0.050000 1 10 1 9 10 0 10 30450.240000 0.050000 1 11 1 10 11 0 11 32171.720000 0.050000 1 12 1 11 12 0 12 34110.840000 0.050000 1 13 1 12 13 0 13 36279.340000 0.050000 1 14 1 13 14 0 14 38688.560000 0.050000 0 ! 15 1 14 15 1 15 30114.100000 0.050000 0 ? 16 1 15 16 1 16 34062.000000 0.050000 0 ? 17 1 16 17 1 17 38228.530000 0.050000 0 ? ! ! IFPAN cavity FTMW ! 1 0 1 0 0 0 7351.608800 0.002000 1 ! 2 1 2 1 1 1 14450.475300 0.002000 1 2 0 2 1 0 1 14701.083900 0.002000 1 2 1 1 1 1 0 14955.909700 0.002000 1 ! 4 0 4 3 1 3 7408.515100 0.002000 1 avg ! 1 1 1 2 0 2 7898.079600 0.002000 1 avg ! 5 0 5 4 1 4 15227.367400 0.002000 1 avg ! ! IFPAN VDIx12 (all AE averaged, unless stated otherwise) ! 10 1 10 9 0 9 89742.725000 0.050000 1 AE unresolved 11 1 11 10 0 10 95939.492700 0.050000 1 12 1 12 11 0 11 102089.621600 0.050000 1 13 1 13 12 0 12 108207.773300 0.050000 1 14 1 14 13 0 13 114308.778700 0.050000 1 15 1 15 14 0 14 120407.199800 0.050000 1 16 1 16 15 0 15 126516.761800 0.050000 1 ! 15 0 15 14 1 14 96872.285900 0.050000 1 AE unresolved 17 0 17 16 1 16 113236.555400 0.050000 1 18 0 18 17 1 17 121340.850400 0.050000 1 19 0 19 18 1 18 129383.196100 0.050000 1 20 0 20 19 1 19 137358.842500 0.050000 1 ! 19 1 18 18 2 17 93569.376900 0.050000 1 20 1 19 19 2 18 102988.013000 0.050000 1 21 1 20 20 2 19 112447.602900 0.050000 1 ! 4 2 3 3 1 2 96822.447300 0.050000 1 5 2 4 4 1 3 103668.094900 0.050000 1 6 2 5 5 1 4 110387.289000 0.050000 1 7 2 6 6 1 5 116981.110900 0.050000 1 ! 6 2 4 5 1 5 114324.930600 0.050000 1 7 2 5 6 1 6 122551.836800 0.050000 1 ! 18 2 17 18 1 18 90373.135600 0.050000 1 19 2 18 19 1 19 92873.965600 0.050000 1 20 2 19 20 1 20 95506.506300 0.050000 1 21 2 20 21 1 21 98268.909000 0.050000 1 22 2 21 22 1 22 101158.958300 0.050000 1 ! 6 3 3 6 2 4 113511.989600 0.050000 0 7 3 4 7 2 5 113429.055700 0.050000 0 8 3 5 8 2 6 113305.425900 0.050000 0 9 3 6 9 2 7 113130.775700 0.050000 0 11 3 8 11 2 9 112582.872800 0.050000 1 12 3 9 12 2 10 112186.536800 0.050000 1 13 3 10 13 2 11 111693.980300 0.050000 1 14 3 11 14 2 12 111095.577600 0.050000 1 17 3 14 17 2 15 108601.143200 0.050000 1 18 3 15 18 2 16 107529.116100 0.050000 1 19 3 16 19 2 17 106341.358400 0.050000 1 ! 7 3 5 7 2 6 113690.694300 0.050000 0 8 3 6 8 2 7 113740.523800 0.050000 0 9 3 7 9 2 8 113811.144200 0.050000 0 10 3 8 10 2 9 113907.446900 0.050000 1 11 3 9 11 2 10 114034.771800 0.050000 1 12 3 10 12 2 11 114198.621600 0.050000 1 13 3 11 13 2 12 114404.859900 0.050000 1 14 3 12 14 2 13 114659.661200 0.050000 1 15 3 13 15 2 14 114969.091300 0.050000 1 16 3 14 16 2 15 115339.513500 0.050000 1 17 3 15 17 2 16 115777.293100 0.050000 1 18 3 16 18 2 17 116288.736100 0.050000 1 19 3 17 19 2 18 116880.009000 0.050000 1 ! ! IFPAN WG-FTMW (all AE averaged) ! 5 0 5 4 1 4 15227.368160 0.010000 1 ! 6 2 5 7 1 6 13221.743950 0.010000 1 7 2 5 8 1 8 14243.798140 0.010000 1 8 2 6 9 1 9 8238.285382 0.010000 1 ! 10 1 9 9 2 8 12125.589310 0.010000 1 12 1 12 11 2 9 8441.117190 0.010000 1 13 1 13 12 2 10 13489.727460 0.010000 1 ! 12 3 10 13 2 11 15959.590790 0.010000 1 13 3 10 14 2 13 11734.006800 0.010000 1 ! 16 2 14 15 3 13 8490.916139 0.010000 1 17 2 16 16 3 13 9046.067871 0.010000 1 17 2 15 16 3 14 16936.573620 0.010000 1 18 2 17 17 3 14 15778.790100 0.010000 1 +++++-----+++++-----+++++-----++++++++++++++++++++---------------+++++----------++++++++ ----------------------------------------------------------------------------------------