SUPPLEMENTARY MATERIAL (ESI) for PCCP This journal is © The Owner Societies 2001 Rotational spectroscopy of C-cyanophosphaehtyne, NCCP, in states of multiple vibrational excitation L. Bizzocchi, C. Degli Esposti, S. Thorwirth, H.S.P. Mueller, F. Lewen and G. Winnewisser Contents: TABLE S1 Extrapolated spectroscopic constants for the unobserved vibrational states (0,3,0), (0,1,4), and (0,2,2) of NCCP. TABLE S2 Experimental frequencies and least-squares residuals (MHz) for the vibrational state (0,0,2) of NCCP. TABLE S3 Experimental frequencies and least-squares residuals (MHz) for the vibrational state (0,0,3) of NCCP. TABLE S4 Experimental frequencies and least-squares residuals (MHz) for the first resonance system (1,0,0)-(0,1,1)-(0,2,0)-(0,0,4) of NCCP. TABLE S5 Experimental frequencies and least-squares residuals (MHz) for the second resonance system (1,0,1)-(0,1,2)-(0,2,1)-(0,0,5)-(1,1,0) of NCCP. *************************** TABLE S1 Extrapolated spectroscopic constants for the unobserved vibrational states (0,3,0), (0,1,4), and (0,2,2) of NCCP. --------------------------------------------------------------------------- (0,3,0) (0,1,4) (0,2,2) --------------------------------------------------------------------------- Delta_G / cm-1 334.0(a) 104.0(a) 334.0(b) B_v / MHz 2718.6821 2742.2851 2730.6439 d_JL(45) / kHz - 8.61 8.61 d_JL(55) / kHz - 15.721 16.262 D_v / kHz -0.2106 -0.2412 0.2250 h_JL(55) / Hz - 0.0489 0.0489 H_v / mHz 0.01699 0.06469 0.4084 q_4 / MHz 1.32307 1.47421 1.32307 q_4J / Hz -0.2577 -0.2577 -0.2577 q_5 / MHz - 2.71765 2.72590 q_5J / Hz - -4.544 -4.389 q_5JJ / uHz - 9.33 9.33 x_L(44) / GHz -8.216 -8.216 -6.936 x_L(45) / GHz - 15.608 16.311 x_L(55) / GHz - 24.407 25.522 r_45 / GHz - -15.810 -16.182 C_30(344) / cm-1 9.875 - 9.875 C_30J(344) / MHz -0.6442 - -0.8503 C_50(35555) / cm-1 - 0.2160 - --------------------------------------------------------------------------- a) Vibrational energy difference relative to the (1,1,0) state. b) Vibrational energy difference relative to the (1,0,2) state. TABLE S2 Experimental frequencies and least-squares residuals (MHz) for the vibrational state (0,0,2) of NCCP. -------------------------------------------- no. J l_5± exp. freq. o - c -------------------------------------------- 1 19 0+ 108829.336 -0.024 2 21 0+ 119710.099 0.012 3 22 0+ 125150.215 -0.003 4 23 0+ 130590.188 0.004 5 24 0+ 136029.972 -0.006 6 25 0+ 141469.583 -0.011 7 26 0+ 146909.031 0.007 8 27 0+ 152348.263 0.002 9 28 0+ 157787.291 -0.007 10 29 0+ 163226.156 0.027 11 30 0+ 168664.751 0.006 12 31 0+ 174103.128 -0.013 13 37 0+ 206728.490 0.000 14 19 2- 108834.585 -0.008 15 21 2- 119716.437 0.003 16 22 2- 125157.189 0.005 17 23 2- 130597.817 0.004 18 24 2- 136038.306 -0.009 19 25 2- 141478.694 0.007 20 26 2- 146918.925 0.003 21 27 2- 152359.020 0.005 22 28 2- 157798.970 0.008 23 29 2- 163238.757 0.002 24 30 2- 168678.410 0.018 25 31 2- 174117.852 -0.013 26 37 2- 206750.978 -0.017 27 19 2+ 108837.132 -0.015 28 21 2+ 119719.827 -0.006 29 22 2+ 125161.072 0.005 30 23 2+ 130602.222 -0.002 31 24 2+ 136043.291 -0.009 32 25 2+ 141484.305 0.012 33 26 2+ 146925.193 -0.005 34 27 2+ 152366.009 -0.003 35 28 2+ 157806.738 0.007 36 29 2+ 163247.339 -0.014 37 30 2+ 168687.867 -0.007 38 31 2+ 174128.318 0.029 39 37 2+ 206768.378 -0.002 -------------------------------------------- TABLE S3 Experimental frequencies and least-squares residuals (MHz) for the vibrational state (0,0,3) of NCCP. -------------------------------------------- no. J l_5± exp. freq. o - c -------------------------------------------- 1 19 1- 109051.094 -0.019 2 21 1- 119954.343 -0.005 3 22 1- 125405.765 -0.003 4 23 1- 130857.053 0.004 5 24 1- 136308.190 0.007 6 26 1- 147209.983 -0.009 7 27 1- 152660.656 0.003 8 28 1- 158111.151 0.005 9 29 1- 163561.473 0.010 10 30 1- 169011.593 -0.005 11 31 1- 174461.566 0.020 12 37 1- 207156.961 -0.013 13 19 3± 109166.462 -0.012 14 21 3± 120081.669 0.007 15 22 3± 125539.102 0.000 16 23 3± 130996.429 -0.004 17 24 3± 136453.639 -0.011 18 26 3± 147367.727 0.003 19 27 3± 152824.576 0.005 20 28 3± 158281.268 -0.018 21 29 3± 163737.888 0.026 22 30 3± 169194.296 -0.001 23 31 3± 174650.597 0.012 24 37 3- 207384.724 -0.014 25 37 3+ 207385.176 0.003 26 19 1+ 109267.694 -0.011 27 21 1+ 120192.516 -0.008 28 22 1+ 125654.722 -0.005 29 23 1+ 131116.781 -0.003 30 24 1+ 136578.700 0.011 31 25 1+ 142040.450 0.015 32 26 1+ 147502.020 0.004 33 27 1+ 152963.436 0.011 34 28 1+ 158424.646 -0.011 35 29 1+ 163885.710 0.006 36 30 1+ 169346.551 -0.010 37 37 1+ 207566.673 -0.001 -------------------------------------------- TABLE S4 Experimental frequencies and least-squares residuals (MHz) for the first resonance system (1,0,0)-(0,1,1)-(0,2,0)-(0,0,4) of NCCP. vibrational state (1,0,0) : --------------------------------------------- no. J k± exp. freq. o - c --------------------------------------------- 1 19 0+ 108068.548 0.002 2 20 0+ 113471.157 0.011 3 22 0+ 124275.973 -0.006 4 23 0+ 129678.207 0.007 5 24 0+ 135080.280 -0.004 6 25 0+ 140482.205 -0.020 7 26 0+ 145884.000 -0.016 8 27 0+ 151285.656 0.002 9 29 0+ 162088.427 -0.016 10 30 0+ 167489.597 0.013 11 31 0+ 172890.551 0.003 12 34 0+ 189092.327 0.000 13 35 0+ 194492.520 -0.010 14 36 0+ 199892.538 0.009 15 37 0+ 205292.320 0.002 16 39 0+ 216091.266 0.019 17 90 0+ 491045.909 -0.005 18 92 0+ 501807.305 0.005 19 93 0+ 507187.255 -0.013 20 95 0+ 517945.723 -0.010 21 96 0+ 523324.232 0.011 22 97 0+ 528702.224 0.018 23 99 0+ 539456.633 -0.018 24 102 0+ 555584.460 0.020 25 103 0+ 560959.313 -0.004 26 130 0+ 705865.017 -0.031 27 131 0+ 711223.348 0.008 28 133 0+ 721937.973 0.019 29 141 0+ 764769.507 -0.001 --------------------------------------------- vibrational state (0,1,1) : --------------------------------------------- no. J k± exp. freq. o - c --------------------------------------------- 30 19 0+ 108631.544 -0.018 31 20 0+ 114062.959 0.007 32 22 0+ 124925.651 -0.007 33 23 0+ 130356.981 0.009 34 24 0+ 135788.264 0.005 35 26 0+ 146650.741 -0.010 36 27 0+ 152081.957 0.001 37 29 0+ 162944.272 -0.009 38 30 0+ 168375.389 -0.012 39 31 0+ 173806.508 0.016 40 34 0+ 190099.601 0.007 41 35 0+ 195530.579 0.009 42 36 0+ 200961.526 0.009 43 37 0+ 206392.445 0.010 44 39 0+ 217254.163 -0.021 45 23 2+ 130425.006 -0.004 46 24 2+ 135857.739 0.004 47 26 2+ 146722.562 0.006 48 27 2+ 152154.641 0.007 49 29 2+ 163018.087 0.008 50 30 2+ 168449.438 0.011 51 31 2+ 173880.485 -0.028 52 34 2+ 190172.118 0.014 53 35 2+ 195602.029 -0.018 54 36 2+ 201031.690 0.010 55 37 2+ 206460.985 -0.009 56 39 2+ 217318.635 0.007 57 23 0- 130425.204 -0.021 58 24 0- 135858.128 0.023 59 26 0- 146723.332 0.012 60 27 0- 152155.654 0.011 61 29 0- 163019.694 0.002 62 30 0- 168451.415 0.007 63 31 0- 173882.886 -0.025 64 34 0- 190176.103 0.006 65 35 0- 195606.680 -0.024 66 36 0- 201037.080 0.003 67 37 0- 206467.213 0.000 68 39 0- 217326.768 0.009 69 19 2- 108699.089 0.004 70 20 2- 114133.633 -0.004 71 22 2- 125002.563 0.008 72 23 2- 130436.929 0.016 73 24 2- 135871.197 -0.003 74 26 2- 146739.519 -0.021 75 27 2- 152173.573 -0.012 76 29 2- 163041.391 -0.012 77 30 2- 168475.175 0.009 78 31 2- 173908.826 0.002 79 34 2- 190209.126 0.010 80 35 2- 195642.293 -0.006 81 36 2- 201075.353 0.005 82 37 2- 206508.260 0.004 83 39 2- 217373.617 -0.005 --------------------------------------------- vibrational state (0,2,0) : --------------------------------------------- no. J l_4± exp. freq. o - c --------------------------------------------- 84 19 0+ 108536.397 -0.010 85 21 0+ 119388.644 0.009 86 22 0+ 124814.609 0.009 87 23 0+ 130240.469 0.010 88 24 0+ 135666.216 0.007 89 25 0+ 141091.842 -0.002 90 26 0+ 146517.369 0.010 91 28 0+ 157368.001 -0.014 92 29 0+ 162793.134 -0.012 93 30 0+ 168218.152 0.013 94 31 0+ 173642.995 0.005 95 37 0+ 206188.834 -0.025 96 39 0+ 217036.146 0.008 97 19 2+ 108551.358 -0.019 98 21 2+ 119404.856 -0.011 99 22 2+ 124831.431 -0.008 100 23 2+ 130257.881 -0.006 101 24 2+ 135684.208 0.001 102 25 2+ 141110.404 0.010 103 26 2+ 146536.444 0.003 104 27 2+ 151962.348 0.004 105 28 2+ 157388.110 0.013 106 29 2+ 162813.710 0.016 107 30 2+ 168239.118 -0.014 108 31 2+ 173664.391 -0.012 109 37 2+ 206212.239 -0.010 110 39 2+ 217059.965 0.004 111 19 2- 108551.858 -0.010 112 21 2- 119405.525 0.004 113 22 2- 124832.186 0.000 114 23 2- 130258.735 -0.002 115 24 2- 135685.170 0.002 116 25 2- 141111.491 0.017 117 26 2- 146537.652 0.001 118 27 2- 151963.695 0.001 119 28 2- 157389.606 0.009 120 29 2- 162815.371 0.015 121 30 2- 168240.947 -0.019 122 31 2- 173666.407 -0.015 123 37 2- 206215.626 -0.010 124 39 2- 217063.939 0.025 --------------------------------------------- vibrational state (0,0,4) : --------------------------------------------- no. J l_5± exp. freq. o - c --------------------------------------------- 125 19 0+ 109478.340 -0.011 126 21 0+ 120422.572 -0.006 127 22 0+ 125894.312 -0.001 128 23 0+ 131365.789 0.009 129 24 0+ 136836.976 0.007 130 25 0+ 142307.876 0.009 131 26 0+ 147778.459 -0.006 132 27 0+ 153248.759 0.009 133 28 0+ 158718.714 0.001 134 29 0+ 164188.329 -0.013 135 30 0+ 169657.633 0.006 136 31 0+ 175126.566 0.009 137 37 0+ 207932.109 -0.012 138 19 2- 109488.145 -0.009 139 21 2- 120435.008 0.001 140 22 2- 125908.221 -0.006 141 23 2- 131381.304 0.003 142 24 2- 136854.218 -0.003 143 25 2- 142326.981 -0.002 144 26 2- 147799.578 -0.002 145 27 2- 153271.992 -0.012 146 28 2- 158744.247 -0.004 147 29 2- 164216.327 0.014 148 30 2- 169688.191 0.006 149 31 2- 175159.870 0.010 150 37 2- 207985.417 -0.001 151 19 4+ 109497.221 -0.019 152 22 4+ 125919.342 0.000 153 23 4+ 131393.146 -0.006 154 24 4+ 136866.839 -0.002 155 25 4+ 142340.402 -0.003 156 26 4+ 147813.844 0.007 157 27 4+ 153287.149 0.014 158 28 4+ 158760.295 0.004 159 29 4+ 164233.294 -0.008 160 30 4+ 169706.160 -0.002 161 31 4+ 175178.876 0.010 162 37 4+ 208011.533 -0.003 163 19 2+ 109496.166 -0.018 164 22 2+ 125920.437 0.006 165 23 2+ 131395.156 -0.005 166 24 2+ 136869.885 0.005 167 25 2+ 142344.587 0.000 168 26 2+ 147819.284 0.002 169 27 2+ 153293.977 0.014 170 28 2+ 158768.639 0.010 171 29 2+ 164243.275 -0.004 172 30 2+ 169717.920 0.008 173 31 2+ 175192.520 -0.005 174 37 2+ 208039.688 -0.013 --------------------------------------------- TABLE S5 Experimental frequencies and least-squares residuals (MHz) for the second resonance system (1,0,1)-(0,1,2)-(0,2,1)-(0,0,5)-(1,1,0) of NCCP. vibrational state (1,0,1): --------------------------------------------- no. J l_5± exp. freq. o - c --------------------------------------------- 1 19 1- 108405.132 0.007 2 21 1- 119243.570 -0.001 3 22 1- 124662.592 0.015 4 23 1- 130081.437 0.007 5 24 1- 135500.128 0.004 6 25 1- 140918.645 -0.005 7 26 1- 146337.007 0.002 8 27 1- 151755.195 0.016 9 28 1- 157173.163 -0.006 10 29 1- 162590.975 0.009 11 30 1- 168008.555 -0.010 12 31 1- 173425.950 -0.009 13 37 1- 205925.662 -0.014 14 19 1+ 108525.563 -0.021 15 21 1+ 119375.939 0.004 16 22 1+ 124800.875 -0.004 17 23 1+ 130225.658 -0.002 18 24 1+ 135650.269 -0.001 19 25 1+ 141074.709 0.006 20 26 1+ 146498.947 -0.005 21 27 1+ 151923.010 0.000 22 28 1+ 157346.872 0.002 23 29 1+ 162770.543 0.017 24 30 1+ 168193.955 -0.016 25 31 1+ 173617.182 -0.016 26 37 1+ 206151.644 0.024 --------------------------------------------- vibrational state (0,1,2): --------------------------------------------- no. J k± exp. freq. o - c --------------------------------------------- 27 19 -1- 108865.786 0.000 28 21 -1- 119751.828 0.007 29 22 -1- 125194.796 0.015 30 23 -1- 130637.702 0.001 31 24 -1- 136080.580 0.001 32 25 -1- 141523.408 -0.006 33 26 -1- 146966.198 -0.005 34 27 -1- 152408.944 -0.001 35 28 -1- 157851.639 0.000 36 29 -1- 163294.261 -0.021 37 30 -1- 168736.862 -0.010 38 31 -1- 174179.436 0.027 39 37 -1- 206833.405 -0.004 40 19 -1+ 108952.833 -0.013 41 21 -1+ 119847.187 0.010 42 22 -1+ 125294.245 0.003 43 23 -1+ 130741.233 -0.003 44 24 -1+ 136188.148 -0.008 45 25 -1+ 141635.002 0.002 46 26 -1+ 147081.763 -0.001 47 27 -1+ 152528.431 -0.013 48 28 -1+ 157975.035 -0.004 49 29 -1+ 163421.551 0.005 50 30 -1+ 168867.964 0.004 51 31 -1+ 174314.288 0.008 52 37 -1+ 206990.054 0.005 53 19 1+ 108983.644 0.011 54 21 1+ 119880.242 -0.005 55 22 1+ 125328.365 -0.004 56 23 1+ 130776.356 -0.004 57 24 1+ 136224.201 -0.014 58 25 1+ 141671.944 0.016 59 26 1+ 147119.483 -0.010 60 27 1+ 152566.902 -0.003 61 28 1+ 158014.157 0.000 62 29 1+ 163461.265 0.020 63 30 1+ 168908.165 0.003 64 31 1+ 174354.898 -0.005 65 37 1+ 207031.328 -0.003 66 19 1- 109028.732 -0.011 67 21 1- 119929.329 0.001 68 22 1- 125379.382 0.004 69 23 1- 130829.258 0.002 70 24 1- 136278.944 -0.009 71 25 1- 141728.468 0.005 72 26 1- 147177.786 0.009 73 27 1- 152626.891 0.003 74 28 1- 158075.797 0.009 75 29 1- 163524.458 -0.010 76 30 1- 168972.910 -0.011 77 31 1- 174421.154 0.014 78 37 1- 207105.055 -0.007 79 19 3± 109029.117 0.014 80 21 3± 119930.440 0.008 81 22 3± 125380.931 0.003 82 23 3± 130831.312 0.006 83 24 3± 136281.551 -0.009 84 25 3± 141731.686 0.001 85 26 3± 147181.685 0.011 86 27 3± 152631.536 0.012 87 28 3± 158081.236 0.007 88 29 3± 163530.757 -0.026 89 30 3± 168980.152 -0.029 90 31 3+ 174429.211 0.017 91 31 3- 174429.613 -0.029 92 37 3+ 207120.619 0.014 93 37 3- 207121.690 0.007 --------------------------------------------- vibrational state (0,2,1): --------------------------------------------- no. J k± exp. freq. o - c --------------------------------------------- 94 19 -1- 108784.018 -0.012 95 20 -1- 114222.619 -0.000 96 22 -1- 125099.523 -0.001 97 23 -1- 130537.829 -0.002 98 24 -1- 135976.035 0.000 99 26 -1- 146852.114 -0.005 100 29 -1- 163165.372 0.003 101 31 -1- 174040.240 0.005 102 37 -1- 206661.412 0.004 103 19 1+ 108844.888 -0.011 104 20 1+ 114286.912 -0.011 105 22 1+ 125170.875 -0.015 106 23 1+ 130612.830 -0.003 107 24 1+ 136054.739 -0.010 108 26 1+ 146938.497 -0.003 109 29 1+ 163263.941 0.009 110 31 1+ 174147.438 0.013 111 37 1+ 206797.313 0.019 112 19 1- 108861.487 0.013 113 20 1- 114304.270 0.008 114 22 1- 125189.730 0.005 115 23 1- 130632.405 0.007 116 24 1- 136075.042 0.011 117 26 1- 146960.178 0.005 118 29 1- 163287.556 -0.012 119 31 1- 174172.278 0.000 120 37 1- 206825.216 -0.025 121 19 3± 108882.346 -0.008 122 20 3± 114325.231 0.001 123 22 3± 125210.419 0.008 124 23 3± 130652.687 -0.009 125 24 3± 136094.764 -0.001 126 26 3± 146978.207 -0.005 127 29 3+ 163301.336 -0.008 128 29 3- 163301.669 0.011 129 31 3+ 174182.096 -0.004 130 37 3+ 206816.767 -0.016 131 37 3- 206817.861 0.025 132 19 -1+ 108905.694 0.006 133 20 -1+ 114350.304 0.005 134 22 -1+ 125239.203 -0.017 135 23 -1+ 130683.541 0.020 136 24 -1+ 136127.712 0.002 137 26 -1+ 147015.741 0.012 138 29 -1+ 163346.797 0.003 139 31 -1+ 174233.470 -0.003 140 37 -1+ 206889.726 -0.017 --------------------------------------------- vibrational state (0,0,5): --------------------------------------------- no. J l_5± exp. freq. o - c --------------------------------------------- 141 19 1- 109646.561 0.003 142 21 1- 120608.827 0.002 143 22 1- 126089.706 -0.002 144 23 1- 131570.416 0.001 145 24 1- 137050.934 -0.003 146 25 1- 142531.270 0.002 147 26 1- 148011.409 0.008 148 27 1- 153491.331 0.003 149 28 1- 158971.040 -0.001 150 29 1- 164450.516 -0.019 151 30 1- 169929.796 -0.005 152 31 1- 175408.843 0.011 153 37 1- 208277.713 0.001 154 19 3± 109819.693 -0.002 155 21 3± 120800.285 0.009 156 22 3± 126290.425 0.005 157 23 3± 131780.459 -0.001 158 24 3± 137270.387 -0.005 159 25 3± 142760.211 -0.001 160 26 3± 148249.916 0.003 161 27 3± 153739.499 0.006 162 28 3+ 159229.181 -0.014 163 29 3- 164717.988 0.012 164 29 3+ 164718.560 -0.003 165 30 3- 170207.109 -0.002 166 30 3+ 170207.805 0.003 167 31 3+ 175696.908 0.000 168 37 3- 208626.630 -0.008 169 37 3+ 208628.546 0.003 170 19 5± 109827.992 -0.018 171 21 5± 120809.193 0.005 172 22 5± 126299.609 0.003 173 23 5± 131789.880 -0.023 174 24 5± 137280.064 -0.009 175 25 5± 142770.121 0.010 176 26 5± 148260.011 -0.001 177 27 5± 153749.781 0.010 178 28 5± 159239.391 0.008 179 29 5± 164728.859 0.018 180 30 5± 170218.132 -0.010 181 31 5± 175707.281 0.002 182 37 5± 208638.370 -0.003 183 19 1+ 109972.807 -0.026 184 21 1+ 120967.584 -0.003 185 22 1+ 126464.691 -0.005 186 23 1+ 131961.625 0.011 187 24 1+ 137458.335 0.001 188 25 1+ 142954.854 0.006 189 26 1+ 148451.144 -0.001 190 27 1+ 153947.233 0.014 191 28 1+ 159443.062 0.003 192 29 1+ 164938.661 0.002 193 30 1+ 170434.021 0.013 194 31 1+ 175929.084 -0.015 195 37 1+ 208893.712 -0.006 --------------------------------------------- vibrational state (1,1,0): --------------------------------------------- no. J l_4± exp. freq. o - c --------------------------------------------- 196 19 1- 108234.948 -0.014 197 21 1- 119056.748 0.003 198 22 1- 124467.434 -0.022 199 23 1- 129878.039 0.000 200 24 1- 135288.482 -0.007 201 25 1- 140698.802 0.001 202 26 1- 146108.960 -0.008 203 27 1- 151518.966 -0.020 204 28 1- 156928.880 0.031 205 29 1- 162338.561 0.009 206 30 1- 167748.090 0.002 207 31 1- 173157.460 0.006 208 37 1- 205609.749 0.006 209 19 1+ 108293.942 0.017 210 21 1+ 119121.576 -0.005 211 22 1+ 124535.234 0.008 212 23 1+ 129948.735 -0.007 213 24 1+ 135362.121 -0.002 214 25 1+ 140775.348 -0.015 215 26 1+ 146188.455 -0.003 216 27 1+ 151601.403 0.002 217 28 1+ 157014.206 0.019 218 29 1+ 162426.843 0.032 219 30 1+ 167839.258 -0.008 220 31 1+ 173251.540 -0.008 221 37 1+ 205721.268 -0.021 --------------------------------------------- TABLE S6 Experimental frequencies and least-squares residuals (MHz) for the third resonance system (1,0,2)-(0,1,3)-(0,0,6) of NCCP. vibrational state (1,0,2): --------------------------------------------- no. J l_5± exp. freq. o - c --------------------------------------------- 1 19 0+ 108886.234 0.016 2 21 0+ 119771.633 -0.004 3 22 0+ 125214.021 0.010 4 23 0+ 130656.132 -0.016 5 24 0+ 136098.039 0.001 6 25 0+ 141539.677 0.005 7 26 0+ 146981.038 0.000 8 27 0+ 152422.132 0.004 9 28 0+ 157862.934 0.002 10 29 0+ 163303.427 -0.013 11 30 0+ 168743.633 -0.010 12 31 0+ 174183.570 0.038 13 37 0+ 206815.706 -0.023 14 19 2- 108886.671 0.026 15 21 2- 119772.790 -0.006 16 22 2- 125215.614 0.006 17 23 2- 130658.236 0.003 18 24 2- 136100.634 -0.030 19 25 2- 141542.899 0.007 20 26 2- 146984.914 0.004 21 27 2- 152426.720 0.009 22 28 2- 157868.288 0.002 23 29 2- 163309.619 -0.008 24 30 2- 168750.725 -0.002 25 31 2- 174191.587 0.008 26 37 2- 206831.048 0.008 27 19 2+ 108889.718 0.007 28 21 2+ 119776.862 -0.008 29 22 2+ 125220.258 -0.001 30 23 2+ 130663.512 -0.001 31 24 2+ 136106.601 -0.025 32 25 2+ 141549.574 -0.017 33 26 2+ 146992.404 0.000 34 27 2+ 152435.057 -0.002 35 28 2+ 157877.546 -0.003 36 29 2+ 163319.894 0.025 37 30 2+ 168762.021 0.009 38 31 2+ 174203.948 -0.025 39 37 2+ 206851.596 0.010 --------------------------------------------- vibrational state (0,1,3): --------------------------------------------- no. J k± exp. freq. o - c --------------------------------------------- 40 19 0+ 109118.718 -0.003 41 20 0+ 114574.219 -0.012 42 22 0+ 125485.066 -0.002 43 23 0+ 130940.386 -0.003 44 24 0+ 136395.649 0.007 45 25 0+ 141850.833 0.007 46 26 0+ 147305.951 0.014 47 29 0+ 163670.798 -0.018 48 30 0+ 169125.623 0.005 49 34 0+ 190943.989 0.000 50 37 0+ 207306.850 0.003 51 19 -2- 109162.723 0.003 52 20 -2- 114620.509 0.003 53 22 -2- 125535.923 0.000 54 23 -2- 130993.552 0.004 55 24 -2- 136451.093 -0.021 56 25 -2- 141908.616 -0.003 57 26 -2- 147366.060 0.001 58 34 -2- 191022.967 -0.010 59 37 -2- 207392.963 0.009 60 19 -2+ 109164.337 -0.002 61 20 -2+ 114622.381 0.002 62 25 -2+ 141912.134 -0.006 63 26 -2+ 147370.007 0.013 64 29 -2+ 163743.361 0.029 65 30 -2+ 169201.027 -0.003 66 34 -2+ 191031.348 -0.021 67 37 -2+ 207403.594 0.002 68 19 2+ 109320.161 0.007 69 20 2+ 114785.156 0.014 70 21 2+ 120249.981 0.002 71 22 2+ 125714.664 0.006 72 23 2+ 131179.178 0.008 73 24 2+ 136643.506 -0.002 74 25 2+ 142107.664 0.000 75 26 2+ 147571.633 0.004 76 27 2+ 153035.391 -0.006 77 28 2+ 158498.967 0.008 78 29 2+ 163962.294 -0.012 79 30 2+ 169425.410 -0.021 80 31 2+ 174888.327 0.002 81 34 2+ 191275.534 -0.001 82 37 2+ 207660.365 0.011 83 19 2- 109328.429 0.005 84 20 2- 114794.724 -0.004 85 21 2- 120261.005 -0.009 86 22 2- 125727.304 0.022 87 24 2- 136659.761 0.004 88 25 2- 142125.964 0.001 89 26 2- 147592.138 -0.006 90 27 2- 153058.310 0.009 91 28 2- 158524.421 -0.010 92 29 2- 163990.536 0.004 93 30 2- 169456.590 -0.013 94 31 2- 174922.634 -0.007 95 34 2- 191320.518 -0.014 96 37 2- 207718.032 0.009 97 19 0- 109347.687 0.011 98 20 0- 114813.498 0.003 99 21 0- 120279.089 0.004 100 22 0- 125744.410 -0.025 101 23 0- 131209.538 0.003 102 24 0- 136674.377 0.002 103 25 0- 142138.949 0.007 104 26 0- 147603.254 0.026 105 29 0- 163994.290 -0.001 106 30 0- 169457.338 -0.009 107 34 0- 191306.155 -0.006 108 37 0- 207688.932 -0.007 109 19 4± 109362.208 -0.006 110 20 4± 114829.590 0.009 111 21 4± 120296.828 -0.011 112 22 4± 125763.966 -0.016 113 23 4± 131231.010 0.004 114 24 4± 136697.909 0.003 115 25 4± 142164.675 0.000 116 26 4± 147631.310 0.001 117 27 4± 153097.788 -0.015 118 28 4± 158564.144 -0.006 119 29 4± 164030.351 0.004 120 30 4± 169496.393 0.006 121 31 4± 174962.258 -0.007 122 34 4± 191358.878 0.002 123 37 4± 207753.861 0.022 --------------------------------------------- vibrational state (0,0,6): --------------------------------------------- no. J l_5± exp. freq. o - c --------------------------------------------- 124 19 0+ 110118.396 -0.005 125 20 0+ 115621.637 0.002 126 22 0+ 126626.925 0.010 127 23 0+ 132128.941 0.014 128 24 0+ 137630.504 0.006 129 26 0+ 148632.257 0.006 130 29 0+ 165131.184 0.018 131 31 0+ 176127.810 0.019 132 37 0+ 209103.745 -0.010 133 19 2- 110135.988 -0.006 134 20 2- 115641.651 -0.010 135 22 2- 126652.473 -0.017 136 23 2- 132157.626 -0.010 137 24 2- 137662.577 -0.016 138 26 2- 148671.894 -0.015 139 29 2- 165184.260 -0.010 140 31 2- 176191.335 -0.009 141 37 2- 209206.275 -0.012 142 19 4± 110148.162 0.009 143 20 4± 115654.847 0.007 144 22 4± 126667.899 0.006 145 23 4± 132174.262 0.014 146 24 4± 137680.494 0.011 147 26 4± 148692.577 0.007 148 29 4± 165209.680 0.009 149 31 4± 176220.320 -0.005 150 37 4± 209248.251 -0.012 151 19 2+ 110152.827 -0.009 152 20 2+ 115661.145 -0.004 153 22 2+ 126678.061 -0.002 154 24 2+ 137695.373 -0.011 155 26 2+ 148713.144 0.011 156 29 2+ 165240.595 -0.001 157 31 2+ 176259.481 0.003 158 37 2+ 209318.847 0.017 159 19 6± 110158.726 -0.011 160 20 6± 115665.882 -0.002 161 22 6± 126679.826 0.000 162 23 6± 132186.622 0.012 163 24 6± 137693.255 -0.007 164 26 6± 148706.137 -0.011 165 29 6± 165224.351 0.003 166 31 6± 176235.668 0.003 167 37 6± 209265.217 0.003 ---------------------------------------------