Salicyl aldehyde, vb state ( 212 cm-1 ) ----------------------+++++------------------------------------------------------------- number of transitions: 356 number of constants : 12 -----++++++++++++++++++++++++++++++----------------------------------------------------- 1 3213.0316074187371668813 A Reduction-A, Representation-I.r 1 1493.1967823172085445549 B 1 1020.6899058345954927063 C 1 0.0000378293216004419 DJ 1 0.0001537275529124563 DJK 1 0.0003165665164752729 DK 1 0.0000107520536850723 dJ 1 0.0001171105895735218 dK 0 0.0000000000000000000 HJ 0 -0.0000000000162000000 HJK 1 -0.0000000003697097724 HKJ 1 0.0000000001778262685 HK ---------------------------------------------------------------------------------------- J' K-1' K+1' J K-1 K+1 frequency error fit? blend Note +++++-----+++++-----+++++-----++++++++++++++++++++---------------+++++----------++++++++ ! ! IFPAN MMW ! ! 103 0 103 102 0 102 211207.517773 0.050000 1 104 0 104 103 0 103 213246.782084 0.050000 1 112 0 112 111 0 111 229559.434370 0.050000 1 ! 102 1 101 101 1 100 211201.804890 0.050000 1 103 1 102 102 1 101 213241.029163 0.050000 1 104 1 103 103 1 102 215280.189154 0.050000 1 105 1 104 104 1 103 217319.389831 0.050000 1 111 1 110 110 1 109 229553.525110 0.050000 1 ! 101 2 99 100 2 98 211196.243040 0.050000 1 102 2 100 101 2 99 213235.542441 0.050000 1 103 2 101 102 2 100 215274.638481 0.050000 1 104 2 102 103 2 101 217313.779978 0.050000 1 110 2 108 109 2 107 229547.892594 0.050000 1 ! 101 3 98 100 3 97 213230.360106 0.050000 2 1.50E-04 96 8 88 95 8 87 213230.360106 0.050000 2 1.50E-04 102 3 99 101 3 98 215269.590994 0.050000 1 103 3 100 102 3 99 217308.719351 0.050000 1 109 3 106 108 3 105 229542.691763 0.050000 1 ! 99 4 95 98 4 94 211187.246032 0.050000 1 100 4 96 99 4 95 213226.380148 0.050000 1 101 4 97 100 4 96 215265.533204 0.050000 1 102 4 98 101 4 97 217304.499216 0.050000 1 108 4 104 107 4 103 229538.185799 0.050000 1 ! 99 5 94 98 5 93 213223.671658 0.050000 1 100 5 95 99 5 94 215262.698340 0.050000 1 101 5 96 100 5 95 217301.880411 0.050000 2 1.50E-04 99 8 92 98 7 91 217301.880411 0.050000 2 6.00E-05 107 5 102 106 5 101 229534.895736 0.050000 1 ! 98 6 92 97 6 91 213222.933449 0.050000 1 99 6 93 98 6 92 215261.753852 0.050000 1 100 6 94 99 6 93 217300.606009 0.050000 1 ! 96 7 89 95 7 88 211186.101464 0.050000 1 97 7 90 96 7 89 213224.852376 0.050000 1 98 7 91 97 7 90 215263.469972 0.050000 1 105 7 98 104 7 97 229533.256966 0.050000 2 1.40E-04 106 7 100 105 7 99 229533.256966 0.050000 2 1.40E-04 ! 97 8 89 96 8 88 215268.571067 0.050000 1 98 8 90 97 8 89 217306.880873 0.050000 1 104 8 96 103 8 95 229536.587270 0.050000 1 ! 95 9 86 94 9 85 213240.267865 0.050000 1 96 9 87 95 9 86 215278.061544 0.050000 1 97 9 88 96 9 87 217315.996601 0.050000 1 103 9 94 102 9 93 229543.379270 0.050000 1 ! 93 10 83 92 10 82 211219.157241 0.050000 1 95 10 85 94 10 84 215293.479857 0.050000 1 96 10 86 95 10 85 217330.749584 0.050000 1 102 10 92 101 10 91 229554.824094 0.050000 1 ! 92 11 81 91 11 80 211243.727911 0.050000 1 93 11 82 92 11 81 213279.815616 0.050000 1 94 11 83 93 11 82 215316.210508 0.050000 1 101 11 90 100 11 89 229572.113151 0.050000 1 ! 91 12 79 90 12 78 211278.638125 0.050000 1 92 12 80 91 12 79 213313.432202 0.050000 1 93 12 81 92 12 80 215348.513899 0.050000 1 ! 90 13 77 89 13 76 211326.858372 0.050000 1 91 13 78 90 13 77 213359.827246 0.050000 1 92 13 79 91 13 78 215393.085064 0.050000 1 93 13 80 92 13 79 217426.520201 0.050000 1 99 13 86 98 13 85 229630.951277 0.050000 1 ! 90 14 76 89 14 75 213422.777117 0.050000 1 92 14 78 91 14 77 217484.441599 0.050000 1 98 14 84 97 14 83 229677.180320 0.050000 1 ! 88 15 73 87 15 72 211480.703007 0.050000 1 89 15 74 88 15 73 213507.366517 0.050000 1 90 15 75 89 15 74 215534.555623 0.050000 1 91 15 76 90 15 75 217562.357134 0.050000 1 97 15 82 96 15 81 229738.537962 0.050000 1 ! 87 16 71 86 16 70 211599.430296 0.050000 1 88 16 72 87 16 71 213620.744524 0.050000 1 89 16 73 88 16 72 215643.029236 0.050000 1 90 16 74 89 16 73 217666.140506 0.050000 1 96 16 80 95 16 79 229819.495504 0.050000 1 ! 86 17 69 85 17 68 211759.400389 0.050000 1 87 17 70 86 17 69 213773.022102 0.050000 1 89 17 72 88 17 71 217804.509726 0.050000 1 95 17 78 94 17 77 229925.822299 0.050000 1 ! 85 18 67 84 18 66 211976.743798 0.050000 2 1.40E-04 85 19 67 84 19 66 211976.743798 0.050000 2 1.40E-04 86 18 68 85 18 67 213978.941147 0.050000 1 87 18 69 86 18 68 215983.515547 0.050000 1 88 18 70 87 18 69 217990.141071 0.050000 1 ! 85 19 66 84 19 65 214261.676605 0.050000 2 1.40E-04 85 20 66 84 20 65 214261.676605 0.050000 2 1.40E-04 86 19 67 85 19 66 216249.872426 0.050000 2 1.40E-04 86 20 67 85 20 66 216249.872426 0.050000 2 1.40E-04 ! 82 20 62 81 20 61 210762.887471 0.050000 1 83 20 63 82 20 62 212707.473254 0.050000 1 84 20 64 83 20 63 214661.269680 0.050000 1 85 20 65 84 20 64 216622.681212 0.050000 1 91 20 71 90 20 70 228502.363239 0.050000 2 1.40E-04 91 21 71 90 21 70 228502.363239 0.050000 2 1.40E-04 ! 82 21 62 81 21 61 210753.055224 0.050000 1 83 21 63 82 21 62 212702.227408 0.050000 1 84 21 63 83 21 62 217172.903346 0.050000 1 85 21 65 84 21 64 216621.129866 0.050000 1 90 21 69 89 21 68 228856.923798 0.050000 1 ! 79 22 57 78 22 56 211814.796994 0.050000 1 81 22 59 80 22 58 214746.414277 0.050000 1 81 22 60 80 22 59 211401.171377 0.050000 1 82 22 60 81 22 59 216396.152581 0.050000 1 83 22 61 82 22 60 218129.747314 0.050000 1 89 22 67 88 22 66 229361.145684 0.050000 1 90 22 69 89 22 68 228856.485774 0.050000 1 ! 79 23 56 78 23 55 217188.638022 0.050000 1 80 23 57 79 23 56 218246.051556 0.050000 1 80 23 58 79 23 57 212139.930773 0.050000 1 81 23 59 80 23 58 214072.374504 0.050000 1 82 23 60 81 23 59 215981.652860 0.050000 1 89 23 67 88 23 66 229352.293784 0.050000 1 ! 79 24 56 78 24 55 212149.201129 0.050000 1 80 24 57 79 24 56 214386.279130 0.050000 1 81 24 58 80 24 57 216516.713988 0.050000 1 85 24 61 84 24 60 229146.242312 0.050000 1 ! 78 25 53 77 25 52 214397.299121 0.050000 1 79 25 55 78 25 54 212900.055417 0.050000 1 81 25 57 80 25 56 218084.438733 0.050000 1 82 25 57 81 25 56 229129.068401 0.050000 1 ! 79 26 53 78 26 52 214324.473330 0.050000 1 79 26 54 78 26 53 212406.286535 0.050000 1 ! 79 27 52 78 27 51 211720.994895 0.050000 1 80 27 53 79 27 52 215089.952821 0.050000 1 80 27 54 79 27 53 214389.970729 0.050000 1 81 27 55 80 27 54 217470.624950 0.050000 1 85 27 59 84 27 58 229324.704979 0.050000 1 ! 80 28 52 79 28 51 213337.659389 0.050000 1 81 28 54 80 28 53 216283.047560 0.050000 1 85 28 58 84 28 57 228643.997280 0.050000 1 ! 80 29 52 79 29 51 212156.610193 0.050000 1 82 29 54 81 29 53 218202.597605 0.050000 1 ! 81 31 51 80 31 50 213433.749575 0.050000 1 82 31 52 81 31 51 216352.213157 0.050000 1 82 31 51 81 31 50 216353.418466 0.050000 1 ! 81 32 50 80 32 49 212760.693864 0.050000 2 1.20E-04 81 32 49 80 32 48 212760.693864 0.050000 2 1.20E-04 82 32 51 81 32 50 215637.937808 0.050000 2 1.20E-04 82 32 50 81 32 49 215637.937808 0.050000 2 1.20E-04 ! 81 33 48 80 33 47 212178.198018 0.050000 1 82 33 50 81 33 49 215022.224482 0.050000 2 1.20E-04 82 33 49 81 33 48 215022.224482 0.050000 2 1.20E-04 83 33 51 82 33 50 217878.603294 0.050000 2 1.20E-04 83 33 50 82 33 49 217878.603294 0.050000 2 1.20E-04 ! 81 34 47 80 34 46 211667.359081 0.050000 1 82 34 49 81 34 48 214484.051203 0.050000 1 83 34 49 82 34 48 217311.268853 0.050000 1 87 34 53 86 34 52 228737.322414 0.050000 2 1.10E-04 87 34 54 86 34 53 228737.322414 0.050000 2 1.10E-04 ! 81 35 46 80 35 45 211214.626008 0.050000 1 83 35 48 82 35 47 216811.139903 0.050000 1 ! 81 36 45 80 36 44 210809.833310 0.050000 1 83 36 47 82 36 46 216365.885855 0.050000 1 ! 82 37 45 81 37 44 213202.245904 0.050000 1 83 37 46 82 37 45 215966.285507 0.050000 2 1.00E-04 43 28 15 42 27 16 215966.285507 0.050000 2 6.00E-05 88 37 51 87 37 50 229906.473002 0.050000 1 ! 82 38 44 81 38 43 212857.320832 0.050000 1 84 38 46 83 38 45 218360.825394 0.050000 1 88 38 50 87 38 49 229454.656551 0.050000 1 ! 82 39 43 81 39 42 212543.572731 0.050000 1 84 39 45 83 39 44 218018.442698 0.050000 1 88 39 49 87 39 48 229047.146522 0.050000 1 ! 83 40 43 82 40 42 214978.776521 0.050000 1 84 40 44 83 40 43 217706.429939 0.050000 1 88 40 48 87 40 47 228677.381788 0.050000 1 ! 82 41 41 81 41 40 211994.139143 0.050000 1 83 41 42 82 41 41 214704.799809 0.050000 1 84 41 43 83 41 42 217420.665947 0.050000 1 ! 82 42 40 81 42 39 211752.092699 0.050000 1 83 42 41 82 42 40 214452.627912 0.050000 1 84 42 42 83 42 41 217157.988835 0.050000 1 ! 82 43 39 81 43 38 211528.598381 0.050000 1 83 43 40 82 43 39 214219.850707 0.050000 1 84 43 41 83 43 40 216915.625417 0.050000 1 ! 82 44 38 81 44 37 211321.547441 0.050000 1 83 44 39 82 44 38 214004.337872 0.050000 1 84 44 40 83 44 39 216691.306925 0.050000 1 ! 82 45 37 81 45 36 211129.182966 0.050000 1 83 45 38 82 45 37 213804.197106 0.050000 1 84 45 39 83 45 38 216483.253214 0.050000 1 ! 82 46 36 81 46 35 210950.251985 0.050000 1 84 46 38 83 46 37 216289.712744 0.050000 1 ! 82 47 35 81 47 34 210783.105137 0.050000 1 84 47 37 83 47 36 216109.248837 0.050000 1 ! 82 48 34 81 48 33 210626.774917 0.050000 1 83 48 35 82 48 34 213281.972090 0.050000 1 89 48 41 88 48 40 229286.178729 0.050000 1 ! 84 49 35 83 49 34 215782.465047 0.050000 1 85 49 36 84 49 35 218438.384972 0.050000 1 89 49 40 88 49 39 229095.960178 0.050000 1 ! 83 50 33 82 50 32 212987.044188 0.050000 1 84 50 34 83 50 33 215634.155284 0.050000 1 85 50 35 84 50 34 218284.552589 0.050000 1 ! 84 51 33 83 51 32 215494.781962 0.050000 1 85 51 34 84 51 33 218139.940947 0.050000 1 89 51 38 88 51 37 228750.542735 0.050000 1 ! 83 52 31 82 52 30 212726.219856 0.050000 1 84 52 32 83 52 31 215363.620156 0.050000 1 85 52 33 84 52 32 218003.733482 0.050000 1 89 52 37 88 52 36 228593.208158 0.050000 1 ! 84 54 30 83 54 29 215122.850387 0.050000 1 85 54 31 84 54 30 217754.159593 0.050000 1 ! 83 58 25 82 58 24 212099.901478 0.050000 1 ! 83 59 24 82 59 23 212013.301337 0.050000 1 84 59 25 83 59 24 214624.145456 0.050000 1 ! 83 60 23 82 60 22 211930.883839 0.050000 1 84 60 24 83 60 23 214538.777362 0.050000 1 ! 83 61 22 82 61 21 211852.281463 0.050000 1 84 61 23 83 61 22 214457.284701 0.050000 1 85 61 24 84 61 23 217064.252529 0.050000 1 ! 83 62 21 82 62 20 211777.460210 0.050000 1 ! 84 63 21 83 63 20 214305.555787 0.050000 1 85 63 22 84 63 21 216907.190071 0.050000 1 90 63 27 89 63 26 229942.933337 0.050000 1 ! 83 64 19 82 64 18 211637.422050 0.050000 1 84 64 20 83 64 19 214234.629911 0.050000 1 85 64 21 84 64 20 216833.639722 0.050000 1 90 64 26 89 64 25 229855.990124 0.050000 1 ! 83 65 18 82 65 17 211571.826029 0.050000 1 85 65 20 84 65 19 216763.459050 0.050000 1 ! 83 66 17 82 66 16 211509.059616 0.050000 1 84 66 18 83 66 17 214101.755902 0.050000 1 ! ! bR ! ! 52 22 31 51 21 30 213852.501388 0.050000 1 52 22 30 51 21 31 213854.553218 0.050000 1 53 22 32 52 21 31 216152.214245 0.050000 1 54 22 32 53 21 33 218432.258240 0.050000 1 81 22 60 80 21 59 211682.280108 0.050000 1 83 20 63 82 21 62 212695.747266 0.050000 1 84 22 63 83 21 62 217200.602183 0.050000 1 ! 49 23 27 48 22 26 210966.705288 0.050000 1 51 23 29 50 22 28 215762.822475 0.050000 2 5.00E-05 51 23 28 50 22 29 215762.822475 0.050000 2 5.00E-05 52 23 30 51 22 29 218136.355623 0.050000 2 5.00E-05 52 23 29 51 22 30 218136.355623 0.050000 2 5.00E-05 90 21 69 89 22 68 228855.752566 0.050000 1 ! 48 24 25 47 23 24 212609.855228 0.050000 1 49 24 26 48 23 25 215054.367785 0.050000 1 50 24 27 49 23 26 217487.930945 0.050000 1 ! 46 25 22 45 24 21 211678.551193 0.050000 1 47 25 23 46 24 22 214157.831974 0.050000 1 48 25 24 47 24 23 216629.711773 0.050000 1 53 25 29 52 24 28 228850.933410 0.050000 1 ! 44 26 19 43 25 18 210641.694943 0.050000 1 46 26 21 45 25 20 215641.050093 0.050000 1 47 26 22 46 25 21 218132.302133 0.050000 1 ! 43 27 17 42 26 16 212055.222522 0.050000 1 44 27 18 43 26 17 214569.117640 0.050000 1 45 27 19 44 26 18 217079.094349 0.050000 1 ! 41 28 14 40 27 13 210918.467522 0.050000 1 44 28 17 43 27 16 218485.476917 0.050000 1 ! 40 29 12 39 28 11 212284.075738 0.050000 1 41 29 13 40 28 12 214814.525783 0.050000 1 47 29 19 46 28 18 229946.731453 0.050000 1 ! 38 30 9 37 29 8 211103.072491 0.050000 1 39 30 10 38 29 9 213638.891194 0.050000 1 40 30 11 39 29 10 216173.303538 0.050000 1 45 30 16 44 29 15 228818.976716 0.050000 1 ! 37 31 7 36 30 6 212448.421867 0.050000 1 ! 35 32 4 34 31 3 211249.848036 0.050000 1 36 32 5 35 31 4 213789.912663 0.050000 1 37 32 6 36 31 5 216329.399033 0.050000 1 42 32 10 41 31 11 229015.102826 0.050000 1 ! 34 33 2 33 32 1 212588.476248 0.050000 1 36 33 4 35 32 3 217669.373977 0.050000 1 ! 34 34 1 33 33 0 216466.995876 0.050000 1 ! 36 36 1 35 35 0 229304.483161 0.050000 1 ! ! bQ ! 67 55 12 67 54 13 210843.368493 0.050000 1 68 55 13 68 54 14 210784.561565 0.050000 1 69 55 14 69 54 15 210723.272431 0.050000 1 70 55 15 70 54 16 210659.157791 0.050000 1 ! 63 56 7 63 55 8 214971.342183 0.050000 1 65 56 9 65 55 10 214875.597955 0.050000 1 68 56 12 68 55 13 214715.246242 0.050000 1 71 56 15 71 55 16 214532.868497 0.050000 1 73 56 17 73 55 18 214397.944826 0.050000 1 75 56 19 75 55 20 214251.912816 0.050000 1 76 56 20 76 55 21 214174.337241 0.050000 1 77 56 21 77 55 22 214093.754968 0.050000 1 79 56 23 79 55 24 213922.934795 0.050000 1 80 56 24 80 55 25 213832.391469 0.050000 1 81 56 25 81 55 26 213738.671931 0.050000 1 88 56 32 88 55 33 212977.017512 0.050000 1 94 56 38 94 55 39 212158.960644 0.050000 1 95 56 39 95 55 40 212005.855627 0.050000 1 97 56 41 97 55 42 211683.941964 0.050000 1 98 56 42 98 55 43 211515.209446 0.050000 1 99 56 43 99 55 44 211340.683798 0.050000 1 101 56 45 101 55 46 210974.500490 0.050000 1 ! 71 57 14 71 56 15 218468.322253 0.050000 1 72 57 15 72 56 16 218405.599171 0.050000 1 74 57 17 74 56 18 218272.255232 0.050000 1 75 57 18 75 56 19 218201.393058 0.050000 1 76 57 19 76 56 20 218127.855780 0.050000 1 77 57 20 77 56 21 218051.174277 0.050000 1 78 57 21 78 56 22 217971.713887 0.050000 1 80 57 23 80 56 24 217803.357341 0.050000 1 82 57 25 82 56 26 217621.908032 0.050000 1 83 57 26 83 56 27 217526.157836 0.050000 1 86 57 29 86 56 30 217216.987362 0.050000 1 87 57 30 87 56 31 217106.402723 0.050000 1 92 57 35 92 56 36 216493.004231 0.050000 1 93 57 36 93 56 37 216357.329958 0.050000 1 94 57 37 94 56 38 216217.103089 0.050000 1 95 57 38 95 56 39 216072.205153 0.050000 1 96 57 39 96 56 40 215922.409711 0.050000 1 101 57 44 101 56 45 215097.038382 0.050000 1 104 57 47 104 56 48 214535.353047 0.050000 1 109 57 52 109 56 53 213475.243223 0.050000 1 110 57 53 110 56 54 213243.410336 0.050000 1 112 57 55 112 56 56 212757.750584 0.050000 1 113 57 56 113 56 57 212503.718728 0.050000 1 115 57 58 115 56 59 211972.638934 0.050000 1 117 57 60 117 56 61 211408.862994 0.050000 1 ! 110 58 52 110 57 53 217448.644852 0.050000 1 111 58 53 111 57 54 217222.899761 0.050000 1 114 58 56 114 57 57 216504.096558 0.050000 1 ! 76 60 16 76 59 17 229955.978487 0.050000 1 77 60 17 77 59 18 229890.030124 0.050000 1 78 60 18 78 59 19 229821.324652 0.050000 1 79 60 19 79 59 20 229750.223572 0.050000 1 85 60 25 85 59 26 229263.951229 0.050000 1 90 60 30 90 59 31 228772.577303 0.050000 1 91 60 31 91 59 32 228663.929179 0.050000 1 93 60 33 93 59 34 228435.485023 0.050000 1 ! ! waveguide FTMW, R-type ! ! aR ! 6 0 6 5 0 5 13345.996700 0.010000 1 4 1 3 3 1 2 10799.550514 0.010000 1 5 1 5 4 1 4 11103.412775 0.010000 1 4 2 2 3 2 1 10709.656520 0.010000 1 4 2 3 3 2 2 9989.143127 0.010000 1 ! ! bR ! 5 0 5 4 1 4 10822.762151 0.010000 1 6 1 5 5 2 4 12774.224131 0.010000 1 18 9 9 17 10 8 10450.732700 0.010000 1 33 19 14 32 20 13 10112.527480 0.010000 1 38 22 16 37 23 15 11450.766908 0.010000 1 41 24 17 40 25 16 11412.536332 0.010000 1 42 25 17 41 26 16 10002.468192 0.010000 1 43 25 18 42 26 17 12790.827272 0.010000 1 44 26 18 43 27 17 11377.285683 0.010000 1 46 27 19 45 28 18 12754.082513 0.010000 1 47 28 19 46 29 18 11344.498293 0.010000 1 50 30 20 49 31 19 11313.857006 0.010000 1 ! ! Q-type ! ! aQ ! 11 3 8 11 3 9 10164.038600 0.010000 1 14 4 10 14 4 11 11382.875900 0.010000 1 22 7 15 22 7 16 9984.808299 0.010000 1 37 12 25 37 12 26 10139.301417 0.010000 1 53 17 36 53 17 37 12774.917703 0.010000 1 56 18 38 56 18 39 12272.596033 0.010000 1 62 20 42 62 20 43 11187.392451 0.010000 1 65 21 44 65 21 45 10621.476628 0.010000 1 ! ! bQ ! 6 2 5 6 1 6 11142.712776 0.010000 1 11 3 8 11 2 9 11391.877781 0.010000 1 7 4 3 7 3 4 12251.834902 0.010000 1 8 4 4 8 3 5 11389.291044 0.010000 1 9 4 5 9 3 6 10496.163796 0.010000 1 12 4 8 12 3 9 10126.067884 0.010000 1 13 4 9 13 3 10 11339.901676 0.010000 1 13 5 8 13 4 9 12342.221900 0.020000 1 15 5 10 15 4 11 12137.636439 0.010000 1 +++++-----+++++-----+++++-----++++++++++++++++++++---------------+++++----------++++++++ ----------------------------------------------------------------------------------------