Salicyl aldehyde, 2va state ( 2*143cm-1) ----------------------+++++------------------------------------------------------------- number of transitions: 97 number of constants : 12 -----++++++++++++++++++++++++++++++----------------------------------------------------- 1 3196.0952923810791617143 A Reduction-A, Representation-I.r 1 1494.7697297486240586295 B 1 1021.7869746128143333408 C 1 0.0000371045745052447 DJ 1 0.0001718465242454651 DJK 1 0.0002324964936597929 DK 1 0.0000104614154991218 dJ 1 0.0001096493397014095 dK 0 0.0000000000000000000 HJ 0 -0.0000000000162000000 HJK 0 -0.0000000003940000000 HKJ 0 0.0000000003030000000 HK ---------------------------------------------------------------------------------------- J' K-1' K+1' J K-1 K+1 frequency error fit? blend Note +++++-----+++++-----+++++-----++++++++++++++++++++---------------+++++----------++++++++ ! ! Estimate from gs and va: 3195.86 ! 1494.82 ! 1021.82 ! 103 0 103 102 0 102 211430.276573 0.050000 1 104 0 104 103 0 103 213471.806609 0.050000 1 105 0 105 104 0 104 215513.162374 0.050000 1 106 0 106 105 0 105 217554.548173 0.050000 1 112 0 112 111 0 111 229801.935833 0.050000 1 ! 102 1 101 101 1 100 211414.598610 0.050000 1 103 1 102 102 1 101 213456.050600 0.050000 1 104 1 103 103 1 102 215497.498950 0.050000 1 105 1 104 104 1 103 217538.862950 0.050000 1 111 1 110 110 1 109 229786.236214 0.050000 1 ! 101 2 99 100 2 98 211399.142530 0.050000 1 102 2 100 101 2 99 213440.514850 0.050000 1 103 2 101 102 2 100 215481.972780 0.050000 1 104 2 102 103 2 101 217523.439030 0.050000 1 110 2 108 109 2 107 229770.553730 0.050000 1 ! 100 3 97 99 3 96 211384.286960 0.050000 1 101 3 98 100 3 97 213425.700941 0.050000 1 102 3 99 101 3 98 215467.047728 0.050000 1 109 3 106 108 3 105 229755.361411 0.050000 1 ! 99 4 95 98 4 94 211370.445468 0.050000 1 100 4 96 99 4 95 213411.663347 0.050000 1 102 4 98 101 4 97 217494.310360 0.050000 1 108 4 104 107 4 103 229740.948578 0.050000 1 ! 98 5 93 97 5 92 211357.933774 0.050000 1 99 5 94 98 5 93 213399.182347 0.050000 1 100 5 95 99 5 94 215440.361609 0.050000 1 101 5 96 100 5 95 217481.507382 0.050000 1 107 5 102 106 5 101 229727.708642 0.050000 1 ! 98 6 92 97 6 91 213388.572186 0.050000 1 99 6 93 98 6 92 215429.637510 0.050000 1 100 6 94 99 6 93 217470.624993 0.050000 1 106 6 100 105 6 99 229716.095877 0.050000 1 ! 96 7 89 95 7 88 211339.836625 0.050000 1 97 7 90 96 7 89 213380.655972 0.050000 1 98 7 91 97 7 90 215421.468183 0.050000 1 99 7 92 98 7 91 217462.313316 0.050000 1 105 7 98 104 7 97 229706.497975 0.050000 1 ! ! waveguide FTMW ! ! aR ! 3 1 2 2 1 1 8199.807600 0.010000 1 ! 4 0 4 3 0 3 9338.686400 0.010000 1 4 1 3 3 1 2 10808.558117 0.010000 1 4 1 4 3 1 3 8974.603700 0.010000 1 4 2 3 3 2 2 9999.057509 0.010000 1 ! 5 0 5 4 0 4 11356.982819 0.010000 1 5 1 5 4 1 4 11113.098300 0.010000 1 5 1 4 4 1 3 13284.857000 0.010000 1 5 2 3 4 2 2 13611.316600 0.010000 1 5 2 4 4 2 3 12393.000400 0.010000 1 5 3 2 4 3 1 12981.577300 0.010000 1 5 3 3 4 3 2 12788.495900 0.010000 1 5 4 1 4 4 0 12779.939100 0.010000 1 ! 6 0 6 5 0 5 13353.742738 0.010000 1 6 1 6 5 1 5 13214.754600 0.010000 1 6 2 5 5 2 4 14722.508700 0.010000 1 6 3 3 5 3 2 15815.920400 0.010000 1 ! 7 1 7 6 1 6 15290.663800 0.010000 1 ! ! bR ! 2 2 0 1 1 1 11168.699400 0.010000 1 ! 4 0 4 3 1 3 8458.126000 0.010000 1 ! 5 0 5 4 1 4 10840.527574 0.010000 1 ! 6 0 6 5 1 5 13081.175700 0.010000 1 6 1 5 5 2 4 12831.307400 0.010000 1 6 4 2 6 3 3 12765.334302 0.010000 1 ! ! b.Q-type ! 4 3 1 4 2 2 8881.443000 0.010000 1 4 4 0 4 3 1 13369.793218 0.010000 1 5 3 2 5 2 3 8251.694700 0.010000 1 6 1 6 5 0 5 13487.344500 0.010000 1 6 3 4 6 2 5 10972.136700 0.010000 1 7 3 5 7 2 6 11856.355100 0.010000 1 7 4 4 7 3 5 13588.678300 0.010000 1 8 2 6 8 1 7 9369.532010 0.010000 1 8 3 6 8 2 7 13005.923300 0.010000 1 8 4 4 8 3 5 11241.961200 0.010000 1 8 4 5 8 3 6 13887.046700 0.010000 1 9 2 7 9 1 8 11719.317800 0.010000 1 9 3 6 9 2 7 8059.148900 0.010000 1 9 4 5 9 3 6 10356.917200 0.010000 1 10 3 7 10 2 8 9424.615300 0.010000 1 10 4 6 10 3 7 9715.718700 0.010000 1 10 5 5 10 4 6 15275.025200 0.010000 1 11 3 8 11 2 9 11414.248012 0.010000 1 11 4 7 11 3 8 9567.104000 0.010000 1 11 5 6 11 4 7 14208.024900 0.010000 1 12 3 9 12 2 10 13861.565800 0.010000 1 12 4 8 12 3 9 10082.528200 0.010000 1 12 5 7 12 4 8 13081.885500 0.010000 1 13 4 9 13 3 10 11340.242026 0.010000 1 13 5 8 13 4 9 12175.057300 0.010000 1 14 4 10 14 3 11 13307.736200 0.010000 1 14 5 9 14 4 10 11769.761800 0.010000 1 15 4 11 15 3 12 15822.005000 0.010000 1 15 5 10 15 4 11 12072.600400 0.010000 1 15 6 9 15 5 10 15827.270400 0.010000 1 16 5 11 16 4 12 13185.701800 0.010000 1 16 6 10 16 5 11 14663.618500 0.010000 1 17 5 12 17 4 13 15092.433700 0.010000 1 17 6 11 17 5 12 13992.351300 0.010000 1 18 6 12 18 5 13 14057.576000 0.010000 1 19 6 13 19 5 14 14991.543500 0.010000 1 +++++-----+++++-----+++++-----++++++++++++++++++++---------------+++++----------++++++++ ----------------------------------------------------------------------------------------