Supplementary material to the paper by A. Campargue ,O. Leshchishina, and O. Naumenko "D2O: ICLAS between 13600 and 14020 cm-1 and normal mode labelling of the vibrational states" D2O lines assigned in the ICLAS spectrum between 13600 and 14020 cm-1 Columns are as follows: 1. Observed wavenumber in cm-1. 2. Observed intensity in cm/molecule 3. Calculated intensity in cm/molecule (pure D216O) is based on potential energy surface S.V. Shirin, N.F. Zobov, O.L. Polyansky, J. Quant. Spectr. Radiat. Transfer. 109, 549-558 (2008) and dipole moment surface from D. Schwenke, H.Partridge J. Chem. Phys. 113, 6592-6597 (2000). 4. Upper vibrational state. 5. Upper J Ka Kc. 6. Lower J Ka Kc. 7. Lower vibrational state. Tentative assignments are marked by "T" Position Intensity VIB J Ka Kc J Ka Kc VIB observed obs. calc. upper upper lower lower cm-1 cm/molecule 1 2 3 4 5 6 7 13604.3457 7.30E-28 7.26E-28 331 8 1 8 9 1 9 000 13608.7051 5.69E-28 5.65E-28 331 8 2 7 9 2 8 000 13613.3789 5.57E-28 4.44E-28 331 8 3 6 9 3 7 000 13619.0190 8.63E-28 1.01E-27 331 7 0 7 8 0 8 000 13627.3760 1.02E-27 3.71E-28 331 8 4 5 9 4 6 000 13633.5742 1.15E-27 1.25E-27 331 6 1 6 7 1 7 000 13636.1577 9.07E-28 8.87E-28 331 6 2 5 7 2 6 000 13639.0352 1.13E-27 9.68E-28 331 5 1 4 6 1 5 000 13641.6416 1.09E-27 1.09E-27 331 5 2 3 6 2 4 000 13646.1982 1.13E-27 1.45E-27 331 5 0 5 6 0 6 000 13647.2461 1.68E-27 7.66E-28 331 5 1 5 6 1 6 000 13656.4366 8.95E-28 8.87E-28 331 5 3 2 6 3 3 000 13660.4202 1.63E-27 1.65E-27 331 4 1 4 5 1 5 000 13663.3857 1.53E-27 1.29E-27 331 4 2 3 5 2 4 000 13670.1110 1.55E-27 1.65E-27 331 3 0 3 4 0 4 000 13671.7632 1.15E-27 3.91E-28 411 13 0 13 14 0 14 000 13671.7632 1.15E-27 1.94E-28 411 13 1 13 14 1 14 000 13673.0781 9.88E-28 1.17E-27 331 3 2 1 4 2 2 000 13673.1533 8.83E-28 8.07E-28 331 3 1 3 4 1 4 000 13675.2212 9.80E-28 6.05E-28 331 5 4 1 6 4 2 000 13676.8779 6.25E-28 6.05E-28 331 3 2 2 4 2 3 000 13679.3359 6.61E-28 6.86E-28 331 2 1 1 3 1 2 000 13683.8813 9.28E-28 3.71E-28 411 12 2 11 13 2 12 000 13685.5415 1.14E-27 1.41E-27 331 2 1 2 3 1 3 000 13690.1958 1.07E-27 8.07E-28 331 2 2 1 3 2 2 000 13690.5044 1.09E-27 7.26E-28 411 12 1 12 13 1 13 000 13690.5044 1.09E-27 3.59E-28 411 12 0 12 13 0 13 000 13693.0488 1.13E-27 9.28E-28 331 1 1 0 2 1 1 000 13693.1919 1.11E-27 1.21E-27 331 1 0 1 2 0 2 000 13697.5615 5.57E-28 4.44E-28 331 1 1 1 2 1 2 000 13699.9853 4.02E-28 3.39E-28 411 10 3 7 11 3 8 000 13702.0342 4.92E-28 5.65E-28 312 11 1 11 12 0 12 000 13702.4024 4.07E-28 2.98E-28 312 11 0 11 12 1 12 000 13705.1475 5.36E-28 3.43E-28 331 0 0 0 1 0 1 000 13708.4492 9.40E-28 1.25E-27 411 11 0 11 12 0 12 000 13711.5806 9.20E-28 8.87E-28 411 10 3 8 11 3 9 000 13714.1748 3.10E-28 1.21E-28 411 10 2 8 11 2 9 000 13718.2651 2.00E-27 1.13E-27 411 9 3 6 10 3 7 000 13718.8350 1.54E-27 1.09E-27 411 10 2 9 11 2 10 000 13724.2465 2.32E-27 1.49E-27 411 9 2 7 10 2 8 000 13725.9300 2.13E-27 2.10E-27 411 10 1 10 11 1 11 000 13726.0894 1.67E-27 1.90E-27 331 2 2 1 2 2 0 000 13727.0237 1.64E-27 9.68E-28 331 2 2 0 2 2 1 000 13727.2149 1.32E-27 1.09E-27 331 3 2 1 3 2 2 000 13734.3677 2.23E-27 8.87E-28 331 5 3 2 5 3 3 000 13734.8428 1.63E-27 1.01E-27 411 9 2 8 10 2 9 000 13735.2583 1.99E-27 1.49E-27 331 4 3 2 4 3 1 000 13735.3882 1.89E-27 1.77E-27 411 9 1 8 10 1 9 000 13736.1051 2.04E-27 1.21E-27 312 9 1 9 10 0 10 000 13737.7938 1.41E-27 2.38E-27 331 3 3 0 3 3 1 000 13739.9614 1.23E-27 1.29E-27 411 8 2 6 9 2 7 000 13742.5503 1.67E-27 1.09E-27 411 8 4 5 9 4 6 000 13744.7998 1.21E-27 2.34E-27 411 8 3 6 9 3 7 000 13745.6016 1.26E-27 4.84E-28 331 2 1 1 1 1 0 000 13745.6016 1.26E-27 6.45E-28 312 8 2 7 9 1 8 000 13749.2051 1.32E-27 1.69E-27 331 3 0 3 2 0 2 000 13750.4853 2.90E-27 3.35E-27 411 8 2 7 9 2 8 000 13750.7451 1.42E-27 1.29E-27 411 8 1 7 9 1 8 000 13754.7715 4.48E-27 3.15E-27 411 7 3 4 8 3 5 000 13755.7085 3.63E-27 4.03E-27 411 7 2 5 8 2 6 000 13758.4529 4.92E-27 4.44E-27 411 8 1 8 9 1 9 000 13758.4529 4.92E-27 1.81E-27 411 8 0 8 9 0 9 000 13759.6097 1.65E-27 1.98E-27 411 7 4 3 8 4 4 000 13761.0581 1.71E-27 1.69E-27 411 7 3 5 8 3 6 000 13761.3413 2.76E-27 4.84E-28 331 3 2 2 2 2 1 000 13761.3413 2.76E-27 9.28E-28 411 7 4 4 8 4 5 000 13763.0654 1.75E-27 1.01E-27 331 5 1 5 4 1 4 000 13763.4419 2.90E-27 8.87E-28 411 7 5 2 8 5 3 000 13763.6934 3.10E-27 1.98E-27 331 5 0 5 4 0 4 000 13765.5180 2.84E-27 2.86E-27 411 7 1 6 8 1 7 000 13765.6792 2.47E-27 2.42E-27 411 7 2 6 8 2 7 000 13765.9790 1.82E-27 1.29E-27 331 6 5 2 6 5 1 000 13765.9790 1.82E-27 6.45E-28 331 6 5 1 6 5 2 000 13767.2959 1.18E-27 8.87E-28 312 7 0 7 8 1 8 000 13767.8716 3.08E-27 2.18E-27 312 7 1 7 8 0 8 000 13769.1279 4.07E-27 2.10E-27 331 5 5 0 5 5 1 000 13769.1279 4.07E-27 1.05E-27 331 5 5 1 5 5 0 000 13771.7187 2.67E-27 2.82E-27 411 6 2 4 7 2 5 000 13774.2007 6.70E-27 6.45E-27 411 7 0 7 8 0 8 000 13774.2769 3.68E-27 3.31E-27 411 7 1 7 8 1 8 000 13776.9038 1.52E-27 1.25E-27 411 6 4 2 7 4 3 000 13777.0381 7.42E-27 2.54E-27 411 6 1 5 7 1 6 000 13777.0381 7.42E-27 4.44E-27 411 6 3 4 7 3 5 000 13777.5210 4.03E-27 1.45E-27 331 5 1 4 4 1 3 000 13777.5210 4.03E-27 2.50E-27 411 6 4 3 7 4 4 000 13780.2351 5.69E-27 5.24E-27 411 6 2 5 7 2 6 000 13782.4292 1.48E-27 1.25E-27 312 6 1 6 7 0 7 000 13783.2285 1.68E-27 4.44E-28 331 7 6 2 7 6 1 000 13783.2285 1.68E-27 8.87E-28 331 7 6 1 7 6 2 000 13783.3252 1.57E-27 1.65E-27 331 6 4 3 7 2 6 000 13784.9404 1.07E-27 7.66E-28 331 4 3 2 3 3 1 000 13784.9404 1.07E-27 2.54E-28 312 2 2 1 3 3 0 000 13786.9556 2.80E-27 1.53E-27 331 6 6 1 6 6 0 000 13786.9556 2.80E-27 7.66E-28 331 6 6 0 6 6 1 000 13787.9189 7.82E-27 7.66E-27 411 5 2 3 6 2 4 000 13788.6689 4.11E-27 4.03E-27 411 6 0 6 7 0 7 000 13789.0312 6.65E-27 8.47E-27 411 6 1 6 7 1 7 000 13792.1743 3.31E-27 1.49E-27 411 5 3 3 6 3 4 000 13792.1743 3.31E-27 1.53E-27 411 5 1 4 6 1 5 000 13792.9473 1.40E-27 5.24E-28 411 7 0 7 7 2 6 000 13793.2922 2.40E-27 2.66E-27 411 5 4 1 6 4 2 000 13793.4778 1.41E-27 1.33E-27 411 5 4 2 6 4 3 000 13793.8303 1.47E-27 1.13E-27 232 5 2 3 6 3 4 000 13795.6040 9.76E-28 1.09E-27 331 5 3 2 4 3 1 000 13795.7661 2.77E-27 8.47E-28 411 5 5 0 6 5 1 000 13795.7661 2.77E-27 4.03E-28 411 5 5 1 6 5 2 000 13795.8872 7.66E-27 3.83E-27 411 5 2 4 6 2 5 000 13796.6216 4.23E-27 2.82E-27 312 5 1 5 6 0 6 000 13800.5977 1.25E-27 4.44E-28 331 8 7 2 8 7 1 000 13800.5977 1.25E-27 2.30E-28 331 8 7 1 8 7 2 000 13802.4492 1.00E-26 1.01E-26 411 5 0 5 6 0 6 000 13802.7327 5.65E-27 5.24E-27 411 5 1 5 6 1 6 000 13803.5745 1.22E-27 1.13E-27 331 6 3 4 5 3 3 000 13804.2251 5.08E-27 4.44E-27 411 4 2 2 5 2 3 000 13804.6790 2.17E-27 8.47E-28 331 7 7 0 7 7 1 000 13804.6790 2.17E-27 4.03E-28 331 7 7 1 7 7 0 000 13805.7959 9.44E-28 5.65E-28 331 6 3 3 5 3 2 000 13805.9883 8.71E-27 5.65E-27 411 4 1 3 5 1 4 000 13806.7881 2.75E-27 4.03E-28 312 2 1 1 3 2 2 000 13807.6123 2.05E-27 1.49E-27 312 4 0 4 5 1 5 000 13808.2583 6.13E-27 5.24E-27 411 4 3 2 5 3 3 000 13808.9062 2.69E-27 2.06E-27 411 4 4 1 5 4 2 000 13810.0259 8.07E-27 8.87E-27 411 4 2 3 5 2 4 000 13810.5283 3.00E-27 1.65E-27 312 4 1 4 5 0 5 000 13811.1958 9.68E-28 5.65E-28 312 5 2 4 5 3 3 000 13815.4673 4.84E-27 5.65E-27 411 4 0 4 5 0 5 000 13816.0876 1.39E-26 1.25E-26 411 4 1 4 5 1 5 000 13820.2749 1.11E-26 1.17E-26 411 3 1 2 4 1 3 000 13820.4014 7.91E-27 8.47E-27 411 3 2 1 4 2 2 000 13822.7012 9.60E-27 3.79E-27 411 3 3 0 4 3 1 000 13823.0574 1.63E-27 1.90E-27 411 3 3 1 4 3 2 000 13824.0112 3.57E-27 4.03E-27 411 3 2 2 4 2 3 000 13824.4214 5.12E-27 4.03E-27 312 3 1 3 4 0 4 000 13827.8621 1.08E-26 1.05E-26 411 3 0 3 4 0 4 000 13828.9912 6.45E-27 6.45E-27 411 3 1 3 4 1 4 000 13832.8203 1.01E-27 7.66E-28 411 3 0 3 3 2 2 000 13834.5974 8.35E-27 5.24E-27 411 2 1 1 3 1 2 000 13835.9939 3.04E-27 2.90E-27 411 2 2 0 3 2 1 000 13837.6729 4.76E-27 5.65E-27 411 2 2 1 3 2 2 000 13838.3091 3.59E-27 3.59E-27 411 2 0 2 3 0 3 000 13840.0874 3.63E-27 3.07E-27 312 2 1 2 3 0 3 000 13841.4541 1.29E-26 1.13E-26 411 2 1 2 3 1 3 000 13845.2542 1.81E-27 1.69E-27 411 4 1 4 4 1 3 000 13848.7620 7.70E-27 6.86E-27 411 1 1 0 2 1 1 000 13851.4604 1.00E-26 1.01E-26 411 1 0 1 2 0 2 000 13853.4932 3.95E-27 3.63E-27 411 1 1 1 2 1 2 000 13858.7854 2.88E-27 2.58E-27 411 6 3 4 6 3 3 000 13859.6901 1.16E-27 8.47E-28 411 7 4 4 7 4 3 000 13861.1726 1.82E-27 1.90E-27 411 7 4 3 7 4 4 000 13862.6557 3.75E-27 1.57E-27 411 7 5 2 7 5 3 000 13863.4395 3.46E-27 4.03E-27 411 4 2 3 4 2 2 000 13863.9038 3.90E-27 2.74E-27 411 0 0 0 1 0 1 000 13863.9971 3.94E-27 3.39E-27 411 6 4 3 6 4 2 000 13864.5132 3.41E-27 1.69E-27 411 6 4 2 6 4 3 000 13866.2158 1.47E-27 8.47E-28 232 5 2 3 5 3 2 000 13866.4844 5.00E-27 2.90E-27 411 6 5 2 6 5 1 000 13866.4844 5.00E-27 1.45E-27 411 6 5 1 6 5 2 000 13867.6237 2.73E-27 2.94E-27 411 5 4 2 5 4 1 000 13867.7524 4.72E-27 5.65E-27 411 5 4 1 5 4 2 000 13868.4556 6.09E-27 4.44E-27 411 5 3 2 5 3 3 000 13868.4556 6.09E-27 1.41E-27 411 7 3 4 7 3 5 000 13869.5122 6.94E-27 7.66E-27 411 4 3 2 4 3 1 000 13869.8206 9.52E-27 5.24E-27 411 5 5 0 5 5 1 000 13869.8206 9.52E-27 2.54E-27 411 5 5 1 5 5 0 000 13869.8872 3.41E-27 3.63E-27 411 3 2 2 3 2 1 000 13870.3118 4.15E-27 3.91E-27 411 4 3 1 4 3 2 000 13870.6167 1.47E-26 9.68E-27 411 4 4 1 4 4 0 000 13870.6167 1.47E-26 4.84E-27 411 4 4 0 4 4 1 000 13872.2793 6.94E-27 6.45E-27 411 3 3 1 3 3 0 000 13872.3962 1.25E-26 1.29E-26 411 3 3 0 3 3 1 000 13872.5330 3.30E-27 1.98E-27 411 6 6 1 6 6 0 000 13872.5330 3.30E-27 1.01E-27 411 6 6 0 6 6 1 000 13872.8760 4.68E-27 3.83E-27 411 1 1 1 1 1 0 000 13873.5684 1.57E-26 1.29E-26 411 2 2 1 2 2 0 000 13874.5581 1.19E-26 6.45E-27 411 2 2 0 2 2 1 000 13874.5581 1.19E-26 7.26E-27 411 3 2 1 3 2 2 000 13875.4658 6.82E-28 1.21E-28 312 7 3 5 6 4 2 000 13876.1177 2.67E-27 2.14E-27 411 4 2 2 4 2 3 000 13877.8428 8.35E-27 7.66E-27 411 1 1 0 1 1 1 000 13880.9717 1.83E-27 1.13E-27 312 2 1 1 2 0 2 000 13886.8530 2.75E-27 2.62E-27 411 3 1 2 3 1 3 000 13887.0020 1.92E-27 1.09E-27 312 4 2 2 4 1 3 000 13887.3354 5.32E-27 3.99E-27 411 1 0 1 0 0 0 000 13898.4185 4.84E-27 4.84E-27 312 2 1 2 1 0 1 000 13900.8838 3.55E-27 3.51E-27 411 2 1 1 1 1 0 000 13903.3555 1.73E-27 6.45E-28 312 4 0 4 3 1 3 000 13904.2358 1.09E-26 5.65E-27 411 3 1 3 2 1 2 000 13906.9707 1.45E-26 1.45E-26 411 3 0 3 2 0 2 000 13908.4478 3.12E-27 2.90E-27 411 3 2 2 2 2 1 000 13910.4395 5.77E-27 5.65E-27 411 3 2 1 2 2 0 000 13911.8335 1.34E-26 1.41E-26 411 4 1 4 3 1 3 000 13912.0225 1.01E-26 1.01E-26 411 3 1 2 2 1 1 000 13913.5920 2.35E-27 7.66E-28 312 7 2 6 7 1 7 000 13914.0610 9.16E-27 8.07E-27 411 4 0 4 3 0 3 000 13917.5789 8.51E-27 8.47E-27 411 4 2 3 3 2 2 000 13918.5293 8.83E-27 7.66E-27 411 5 1 5 4 1 4 000 13918.9077 8.11E-28 6.45E-28 312 2 2 1 1 1 0 000 13919.2061 7.99E-27 3.63E-27 411 4 3 2 3 3 1 000 13919.9875 1.61E-26 1.57E-26 411 5 0 5 4 0 4 000 13921.8252 1.50E-27 1.09E-27 312 2 2 0 1 1 1 000 13921.9551 8.91E-27 5.65E-27 411 4 1 3 3 1 2 000 13921.9551 8.91E-27 4.03E-27 411 4 2 2 3 2 1 000 13924.5550 1.45E-26 1.21E-26 411 6 1 6 5 1 5 000 13925.1335 7.42E-27 7.26E-27 411 6 0 6 5 0 5 000 13925.8838 4.92E-27 4.44E-27 411 5 2 4 4 2 3 000 13927.6685 1.99E-27 1.61E-27 411 5 3 3 4 3 2 000 13929.3149 7.10E-27 6.05E-27 411 7 1 7 6 1 6 000 13929.3926 2.51E-27 9.68E-28 411 5 4 2 4 4 1 000 13929.7002 1.64E-26 5.24E-27 411 5 3 2 4 3 1 000 13929.7002 1.64E-26 1.21E-26 411 7 0 7 6 0 6 000 13930.1772 7.50E-27 7.26E-27 430 5 4 2 4 1 3 000 13931.9209 5.93E-27 6.05E-27 411 6 2 5 5 2 4 000 13932.8745 1.12E-26 9.28E-27 411 8 1 8 7 1 7 000 13933.0049 1.05E-26 8.87E-27 411 5 2 3 4 2 2 000 13933.0811 3.82E-27 3.47E-27 411 8 0 8 7 0 7 000 13935.0107 2.24E-27 2.54E-27 331 6 4 3 5 2 4 000 13936.1263 1.01E-26 6.86E-27 411 9 0 9 8 0 8 000 13936.6094 3.65E-27 3.59E-27 411 9 1 9 8 1 8 000 13936.7017 5.77E-27 5.24E-27 411 6 3 4 5 3 3 000 13937.6279 5.36E-27 3.67E-27 312 5 2 4 4 1 3 000 13938.3545 3.85E-27 3.51E-27 411 7 2 6 6 2 5 000 13938.4578 2.97E-27 2.50E-27 411 6 4 3 5 4 2 000 13938.6699 1.88E-27 1.25E-27 411 6 4 2 5 4 1 000 13938.8706 6.09E-27 5.24E-27 411 10 1 10 9 1 9 000 13938.9645 3.25E-27 2.66E-27 411 10 0 10 9 0 9 000 13939.9846 3.15E-27 2.54E-27 411 6 3 3 5 3 2 000 13940.5488 2.40E-27 8.07E-28 411 6 5 2 5 5 1 000 13940.5488 2.40E-27 3.99E-28 411 6 5 1 5 5 0 000 13940.6214 3.95E-27 3.43E-27 411 11 0 11 10 0 10 000 13940.7605 2.95E-27 1.81E-27 411 11 1 11 10 1 10 000 13941.7959 8.67E-27 2.30E-27 312 6 2 5 5 1 4 000 13941.7959 8.67E-27 2.30E-27 411 12 1 12 11 1 11 000 13941.7959 8.67E-27 1.13E-27 411 12 0 12 11 0 11 000 13942.1426 2.61E-27 1.37E-27 411 13 0 13 12 0 12 000 13942.1426 2.61E-27 6.86E-28 411 13 1 13 12 1 12 000 13942.9990 8.11E-27 3.75E-27 411 6 2 4 5 2 3 000 13943.5483 6.98E-27 5.65E-27 411 8 2 7 7 2 6 000 13943.7837 1.37E-26 7.26E-27 411 7 1 6 6 1 5 000 13947.4529 3.92E-27 3.23E-27 411 8 1 7 7 1 6 000 13947.6693 3.14E-27 2.38E-27 411 7 4 3 6 4 2 000 13947.8066 2.64E-27 2.22E-27 411 9 2 8 8 2 7 000 13948.5283 8.63E-28 8.47E-28 430 7 4 4 6 1 5 000 13949.1960 3.39E-27 9.68E-28 411 7 5 2 6 5 1 000 13949.1960 3.39E-27 1.73E-27 312 3 3 1 2 2 0 000 13950.2126 4.28E-27 4.44E-27 411 7 3 4 6 3 3 000 13950.4880 4.76E-27 4.44E-27 411 9 1 8 8 1 7 000 13950.8237 3.72E-27 3.39E-27 411 8 3 6 7 3 5 000 13951.3560 3.01E-27 3.02E-27 411 10 2 9 9 2 8 000 13951.4980 4.88E-27 5.65E-27 411 7 2 5 6 2 4 000 13952.0156 1.49E-27 1.01E-27 411 10 1 9 9 1 8 000 13953.2178 2.23E-27 1.61E-27 411 8 4 5 7 4 4 000 13953.8633 1.63E-27 1.94E-27 411 11 1 10 10 1 9 000 13958.0635 8.83E-28 8.87E-28 312 4 3 2 3 2 1 000 13958.2681 1.50E-27 1.86E-27 411 8 2 6 7 2 5 000 13958.3424 5.28E-28 7.26E-28 133 5 2 3 6 2 4 000 13960.7732 2.04E-27 1.61E-27 411 10 3 8 9 3 7 000 13963.0068 3.42E-27 1.94E-27 411 9 2 7 8 2 6 000 13963.1147 8.55E-28 1.05E-27 133 5 0 5 6 0 6 000 13964.8350 1.76E-27 1.65E-27 312 5 3 3 4 2 2 000 13965.2612 8.03E-28 6.45E-28 411 9 5 4 8 5 3 000 13966.8989 1.09E-27 7.26E-28 411 10 4 7 9 4 6 000 13968.2046 1.53E-27 1.90E-27 411 9 3 6 8 3 5 000 13969.3462 1.32E-27 4.84E-28 133 5 3 2 6 3 3 000 13969.3462 1.32E-27 7.66E-28 312 6 3 4 5 2 3 000 13971.7368 2.06E-27 1.45E-27 312 7 3 5 6 2 4 000 13971.7368 2.06E-27 7.66E-28 411 10 2 8 9 2 7 000 13971.9844 1.67E-27 1.45E-27 312 9 3 7 8 2 6 000 13972.3132 1.07E-27 1.05E-27 411 11 2 9 10 2 8 000 T 13972.4102 1.34E-27 7.26E-28 312 8 3 6 7 2 5 000 13972.4102 1.34E-27 6.86E-28 312 5 3 2 4 2 3 000 13974.6162 9.12E-28 6.05E-28 411 10 3 7 9 3 6 000 13978.2319 1.77E-27 1.73E-27 312 4 4 0 3 3 1 000 13982.2080 9.28E-28 3.95E-28 411 5 2 3 4 0 4 000 13982.2080 9.28E-28 1.05E-27 133 3 1 2 4 1 3 000 13985.8642 9.64E-28 9.68E-28 312 6 3 3 5 2 4 000 13995.5023 6.78E-28 6.86E-28 312 6 4 3 5 3 2 000 13997.2729 8.51E-28 1.33E-27 312 6 4 2 5 3 3 000 14001.8105 9.16E-28 1.09E-27 312 7 4 4 6 3 3 000 14007.1752 1.40E-27 1.37E-27 312 5 5 1 4 4 0 000 14007.1752 1.40E-27 6.86E-28 312 5 5 0 4 4 1 000 14007.2514 5.61E-28 5.65E-28 312 9 4 6 8 3 5 000 14016.2949 7.18E-28 1.13E-27 312 6 5 1 5 4 2 000 In addition, there are two unassigned lines which may be due to D2O: 13760.299 7.49E-28 13787.580 2.92E-27