This document is the Supporting Information of a Published Work that appeared in final form in The Journal of Molecular Spectroscopy, copyright © Elsevier Inc., under the citation: Analysis of the rotation-vibration-inversion infrared spectrum of the ν10 and ν14 bands of silacyclobutane © 2015 by Ziqiu Chen, Jennifer van Wijngaarden is licensed under CC BY-NC-ND 4.0 DOI: https://doi.org/10.1016/j.jms.2014.11.003 Supplementary information for: Far Infrared Investigation of the Rotation-Vibration-Inversion Spectrum of the nu10 and nu14 Bands of Silacyclobutane Ziqiu Chen and Jennifer van Wijngaarden* Department of Chemistry, University of Manitoba, Winnipeg Manitoba, R3T 2N2 Canada *Corresponding author Email: vanwijng@cc.umanitoba.ca Phone: (204)474-8379 Fax: (204)474-7608 ---- This file consists of 2 tables of line lists for the nu14 band of SCB (rotation-vibration-inversion spectrum). Table S5: Observed transitions (in cm-1) for the nu14 band of SCB (0- -->nu14+) tunnelling state. J' Ka' Kc' J" Ka" Kc" obs. obs.-calc. 4 4 0 5 5 1 734.44508 -0.00009 5 5 0 6 6 1 733.85408 0.00005 6 2 4 7 3 5 734.65462 0.00007 6 3 4 7 2 5 734.87982 0.00007 6 1 5 6 2 4 736.49246 0.00007 7 1 6 8 2 7 734.68878 -0.00017 7 2 6 8 1 7 734.69493 -0.00005 7 2 6 7 3 5 736.17894 0.00002 7 3 5 7 4 4 736.30599 0.00008 7 2 5 7 3 4 736.60298 -0.00013 7 3 4 7 2 5 737.92240 -0.00009 8 4 5 9 3 6 734.14576 0.00021 8 0 8 9 1 9 734.61311 0.00001 8 1 8 9 0 9 734.61311 -0.00002 8 4 5 8 5 4 736.20469 -0.00012 8 2 6 8 3 5 736.36167 -0.00004 8 4 4 8 3 5 737.86571 0.00028 8 3 5 8 2 6 738.15795 0.00011 8 2 6 8 1 7 738.51176 0.00018 8 1 8 7 0 7 739.63155 -0.00015 8 0 8 7 1 7 739.63155 -0.00002 8 4 5 7 3 4 740.52395 -0.00008 9 2 7 10 3 8 733.90504 -0.00005 9 3 7 9 4 6 736.00066 0.00001 9 5 5 9 6 4 736.04946 0.00001 9 2 7 9 3 6 736.09896 -0.00011 9 5 4 9 4 5 737.93716 0.00015 9 3 6 9 2 7 738.41420 0.00013 9 2 8 8 1 7 740.11579 -0.00010 9 2 7 8 3 6 740.30398 0.00008 10 3 7 11 4 8 733.37930 -0.00011 10 2 9 11 1 10 733.83457 -0.00006 10 1 9 11 2 10 733.83457 0.00007 10 0 10 11 1 11 734.04106 -0.00001 10 1 10 11 0 11 734.04106 -0.00001 10 6 5 10 7 4 735.85203 -0.00002 10 5 6 10 6 5 736.01365 0.00001 10 4 6 10 5 5 736.53196 0.00009 10 5 5 10 4 6 737.96727 0.00000 10 4 6 10 3 7 738.26281 -0.00004 10 6 5 10 5 6 738.48856 -0.00010 10 4 7 10 3 8 738.69816 -0.00010 10 2 8 10 1 9 738.93395 0.00020 10 2 9 9 1 8 740.39497 0.00005 11 3 8 12 4 9 733.11599 0.00001 11 2 9 12 3 10 733.33929 -0.00016 11 3 9 12 2 10 733.34055 -0.00009 11 0 11 12 1 12 733.75461 -0.00001 11 1 11 12 0 12 733.75461 -0.00001 11 4 7 11 5 6 736.37563 0.00016 11 5 6 11 6 5 736.43075 0.00000 11 5 6 11 4 7 738.11427 -0.00009 11 7 4 11 6 5 738.44672 0.00020 11 4 7 11 3 8 738.53307 0.00022 11 6 6 11 5 7 738.55613 0.00015 11 3 8 11 2 9 738.87893 -0.00013 11 4 8 11 3 9 738.89484 -0.00009 11 0 11 10 1 10 740.47203 -0.00001 11 1 11 10 0 10 740.47203 -0.00001 11 6 6 10 5 5 742.11974 0.00018 12 9 3 13 10 4 730.39379 -0.00035 12 6 6 13 7 7 731.45664 0.00019 12 3 9 13 4 10 732.83846 -0.00009 12 4 9 13 3 10 732.84610 0.00005 12 2 10 13 3 11 733.05312 -0.00011 12 1 11 13 2 12 733.26116 0.00002 12 2 11 13 1 12 733.26116 0.00001 12 3 10 12 4 9 735.39446 0.00017 12 8 5 12 9 4 735.39691 0.00013 12 2 10 12 3 9 735.39969 0.00002 12 5 8 12 6 7 735.81588 -0.00004 12 4 8 12 5 7 736.12279 -0.00016 12 5 7 12 6 6 736.41127 0.00020 12 6 6 12 5 7 738.06615 -0.00001 12 7 5 12 6 6 738.29521 0.00008 12 5 7 12 4 8 738.35747 -0.00012 12 9 4 12 8 5 739.08569 0.00011 12 2 10 12 1 11 739.33955 -0.00009 12 1 11 11 2 10 740.95345 0.00012 12 2 11 11 1 10 740.95345 0.00009 12 4 8 11 5 7 741.47708 -0.00005 12 5 8 11 4 7 741.69580 0.00000 13 12 1 14 13 2 729.34453 -0.00002 13 9 4 14 10 5 730.03241 -0.00024 13 8 5 14 9 6 730.29261 0.00016 13 5 8 14 6 9 731.95878 0.00008 13 4 9 14 5 10 732.32151 0.00016 13 5 9 14 4 10 732.35690 0.00006 13 3 10 14 4 11 732.55519 0.00012 13 4 10 14 3 11 732.55751 0.00007 13 3 11 14 2 12 732.76624 -0.00014 13 2 11 14 3 12 732.76624 -0.00004 13 1 12 14 2 13 732.97410 0.00012 13 2 12 14 1 13 732.97410 0.00012 13 1 13 14 0 14 733.18096 0.00009 13 0 13 14 1 14 733.18096 0.00009 13 2 12 13 3 11 734.94592 0.00003 13 1 12 13 2 11 734.94592 -0.00004 13 2 12 13 3 11 734.94592 0.00003 13 1 12 13 2 11 734.94592 -0.00004 13 8 6 13 9 5 735.42440 -0.00006 13 6 8 13 7 7 735.75652 0.00015 13 7 6 13 8 5 735.85721 0.00016 13 5 8 13 6 7 736.26557 -0.00005 13 6 7 13 7 6 736.28636 0.00016 13 6 7 13 5 8 738.20053 0.00007 13 4 9 13 3 10 739.02181 -0.00023 13 9 5 13 8 6 739.04593 0.00005 13 4 10 13 3 11 739.29862 -0.00014 13 10 4 13 9 5 739.31091 -0.00010 13 0 13 12 1 12 741.03072 -0.00010 13 1 13 12 0 12 741.03072 -0.00010 13 2 12 12 1 11 741.23212 -0.00018 13 1 12 12 2 11 741.23212 -0.00017 13 3 11 12 2 10 741.43510 -0.00015 13 2 11 12 3 10 741.43510 0.00019 13 4 10 12 3 9 741.64517 -0.00003 13 5 9 12 4 8 741.90452 -0.00014 13 7 7 12 6 6 743.01668 0.00005 13 9 5 12 8 4 743.84302 -0.00019 13 10 4 12 9 3 744.08254 -0.00056 14 11 3 15 12 4 729.20511 -0.00020 14 8 6 15 9 7 729.98782 -0.00004 14 7 7 15 8 8 730.53002 0.00034 14 5 9 15 6 10 731.76171 0.00029 14 3 11 15 4 12 732.26913 0.00008 14 4 11 15 3 12 732.26971 -0.00006 14 2 12 15 3 13 732.47896 0.00009 14 3 12 15 2 13 732.47896 0.00007 14 1 13 15 2 14 732.68675 0.00023 14 2 13 15 1 14 732.68675 0.00023 14 1 14 15 0 15 732.89355 -0.00003 14 0 14 15 1 15 732.89355 -0.00003 14 9 6 15 8 7 733.18669 -0.00008 14 10 5 14 11 4 734.92318 -0.00003 14 8 7 14 9 6 735.45054 0.00011 14 4 10 14 5 9 735.54986 0.00005 14 7 7 14 8 6 736.01162 0.00005 14 5 9 14 6 8 736.01162 -0.00012 14 6 8 14 7 7 736.28814 -0.00003 14 7 7 14 6 8 738.16332 0.00002 14 6 8 14 5 9 738.44329 -0.00011 14 8 7 14 7 8 738.81955 0.00006 14 6 9 14 5 10 738.99626 0.00030 14 4 10 14 3 11 739.23956 -0.00003 14 5 10 14 4 11 739.24849 0.00006 14 10 4 14 9 5 739.26071 -0.00027 14 10 5 14 9 6 739.27040 -0.00004 14 1 13 13 2 12 741.51082 -0.00014 14 2 13 13 1 12 741.51082 -0.00014 14 3 12 13 2 11 741.71329 0.00002 14 2 12 13 3 11 741.71329 0.00011 14 3 11 13 4 10 741.91684 -0.00016 14 4 11 13 3 10 741.91943 0.00007 14 4 10 13 5 9 742.11264 -0.00005 14 8 7 13 7 6 743.76824 -0.00010 14 9 6 13 8 5 744.17078 -0.00021 15 15 0 16 16 1 727.93062 0.00002 15 14 1 16 15 2 728.15684 0.00008 15 13 2 16 14 3 728.38310 -0.00021 15 12 3 16 13 4 728.61058 -0.00014 15 11 4 16 12 5 728.83991 -0.00016 15 10 5 16 11 6 729.07481 -0.00027 15 7 8 16 8 9 730.43097 0.00034 15 4 11 16 5 12 731.76723 0.00001 15 4 12 16 3 13 731.98217 0.00008 15 3 12 16 4 13 731.98217 0.00029 15 3 13 16 2 14 732.19093 -0.00016 15 2 13 16 3 14 732.19093 -0.00015 15 2 14 16 1 15 732.39883 0.00006 15 1 14 16 2 15 732.39883 0.00006 15 0 15 16 1 16 732.60606 0.00005 15 1 15 16 0 16 732.60606 0.00005 15 11 5 15 12 4 734.68630 -0.00013 15 11 4 15 12 3 734.68630 -0.00027 15 2 13 15 3 12 734.75991 -0.00005 15 6 10 15 7 9 735.48669 0.00013 15 7 8 15 8 7 736.13702 -0.00007 15 6 9 15 7 8 736.15681 0.00023 15 7 8 15 6 9 738.28204 0.00022 15 8 7 15 7 8 738.30043 0.00008 15 9 6 15 8 7 738.77291 0.00000 15 8 8 15 7 9 738.86705 -0.00003 15 2 13 15 1 14 739.94121 -0.00001 15 3 13 15 2 14 739.94121 -0.00001 15 1 15 14 0 14 741.58843 0.00002 15 0 15 14 1 14 741.58843 0.00002 15 2 14 14 1 13 741.78940 0.00007 15 1 14 14 2 13 741.78940 0.00007 15 2 13 14 3 12 741.99126 0.00011 15 3 13 14 2 12 741.99126 0.00008 15 5 11 14 4 10 742.41041 0.00006 15 10 6 14 9 5 744.77337 -0.00010 15 11 5 14 10 4 745.01649 -0.00014 15 14 2 14 13 1 745.70383 -0.00017 16 14 2 17 15 3 727.78873 -0.00001 16 13 3 17 14 4 728.01576 -0.00012 16 11 5 17 12 6 728.47666 0.00010 16 6 10 17 7 11 730.94076 0.00026 16 8 9 17 7 10 731.24280 0.00007 16 5 11 17 6 12 731.25461 -0.00002 16 6 11 17 5 12 731.27382 -0.00008 16 4 12 17 5 13 731.48189 0.00007 16 5 12 17 4 13 731.48333 0.00020 16 3 13 17 4 14 731.69391 -0.00014 16 4 13 17 3 14 731.69391 -0.00020 16 3 14 17 2 15 731.90290 -0.00006 16 2 14 17 3 15 731.90290 -0.00006 16 1 15 17 2 16 732.11071 -0.00002 16 2 15 17 1 16 732.11071 -0.00002 16 1 16 17 0 17 732.31817 0.00001 16 0 16 17 1 17 732.31817 0.00001 16 11 6 16 12 5 734.70867 0.00006 16 4 13 16 5 12 734.79041 0.00010 16 10 6 16 11 5 734.98966 0.00002 16 5 12 16 6 11 735.04605 -0.00002 16 6 11 16 7 10 735.29943 0.00015 16 9 7 16 10 6 735.33869 -0.00011 16 8 8 16 9 7 735.83600 0.00003 16 6 10 16 7 9 735.90435 0.00001 16 7 9 16 8 8 736.16231 0.00010 16 8 8 16 7 9 738.25974 0.00011 16 7 9 16 6 10 738.52147 0.00003 16 9 7 16 8 8 738.58792 -0.00007 16 6 10 16 5 11 739.02404 -0.00002 16 10 6 16 9 7 739.08907 -0.00014 16 5 12 16 4 13 739.65510 -0.00022 16 13 4 16 12 5 739.98272 -0.00025 16 1 16 15 0 15 741.86663 -0.00011 16 0 16 15 1 15 741.86663 -0.00011 16 2 15 15 1 14 742.06735 -0.00007 16 1 15 15 2 14 742.06735 -0.00007 16 4 13 15 3 12 742.47214 0.00003 16 4 12 15 5 11 742.67691 0.00001 16 5 12 15 4 11 742.68131 0.00029 16 5 11 15 6 10 742.86928 -0.00003 16 6 10 15 7 9 742.93710 -0.00014 16 7 10 15 6 9 743.32135 0.00027 16 9 8 15 8 7 744.68448 -0.00004 16 10 7 15 9 6 745.09745 0.00014 16 12 5 15 11 4 745.59910 -0.00010 16 13 4 15 12 3 745.82934 -0.00013 16 14 3 15 13 2 746.05768 0.00000 16 15 2 15 14 1 746.28490 -0.00004 17 17 0 18 18 1 726.74161 0.00005 17 16 1 18 17 2 726.96737 -0.00018 17 15 2 18 16 3 727.19376 -0.00007 17 14 3 18 15 4 727.42061 -0.00013 17 13 4 18 14 5 727.64871 -0.00013 17 12 5 18 13 6 727.87908 -0.00030 17 8 9 18 9 10 729.51506 0.00028 17 7 10 18 8 11 730.26190 0.00010 17 6 11 18 7 12 730.71486 0.00024 17 5 12 18 6 13 730.97570 -0.00010 17 6 12 18 5 13 730.98267 0.00019 17 9 9 18 8 10 731.15823 0.00030 17 5 13 18 4 14 731.19502 -0.00005 17 3 14 18 4 15 731.40594 0.00019 17 4 14 18 3 15 731.40594 0.00017 17 2 15 18 3 16 731.61444 -0.00010 17 3 15 18 2 16 731.61444 -0.00010 17 1 16 18 2 17 731.82227 -0.00015 17 2 16 18 1 17 731.82227 -0.00015 17 1 17 18 0 18 732.03012 0.00008 17 0 17 18 1 18 732.03012 0.00008 17 12 5 17 13 4 734.46959 -0.00005 17 11 7 17 12 6 734.73692 0.00001 17 5 13 17 6 12 734.82927 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21 19 3 725.40726 0.00021 20 17 3 21 18 4 725.63345 0.00003 20 16 4 21 17 5 725.86033 -0.00019 20 15 5 21 16 6 726.08878 -0.00012 20 14 6 21 15 7 726.31949 -0.00005 20 13 7 21 14 8 726.55476 -0.00008 20 12 8 21 13 9 726.80509 0.00016 20 9 11 21 10 12 728.56421 0.00004 20 8 12 21 9 13 729.27351 -0.00018 20 7 13 21 8 14 729.65249 -0.00014 20 8 13 21 7 14 729.69232 0.00018 20 6 14 21 7 15 729.89803 0.00016 20 6 15 21 5 16 730.11665 0.00002 20 5 15 21 6 16 730.11665 0.00024 20 4 16 21 5 17 730.32861 -0.00014 20 5 16 21 4 17 730.32861 -0.00015 20 3 17 21 4 18 730.53860 -0.00009 20 4 17 21 3 18 730.53860 -0.00009 20 2 18 21 3 19 730.74757 0.00008 20 3 18 21 2 19 730.74757 0.00008 20 1 19 21 2 20 730.95580 -0.00001 20 2 19 21 1 20 730.95580 -0.00001 20 0 20 21 1 21 731.16410 0.00008 20 1 20 21 0 21 731.16410 0.00008 20 16 5 20 17 4 733.50464 -0.00007 20 16 4 20 17 3 733.50464 -0.00007 20 15 5 20 16 4 733.75461 -0.00004 20 15 6 20 16 5 733.75461 -0.00003 20 14 6 20 15 5 734.01197 -0.00004 20 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12 35 720.98888 0.00017 46 11 35 47 12 36 721.20602 0.00002 46 12 35 47 11 36 721.20602 0.00002 46 10 36 47 11 37 721.42202 0.00010 46 11 36 47 10 37 721.42202 0.00010 46 8 39 47 7 40 722.06484 -0.00002 46 7 39 47 8 40 722.06484 -0.00002 46 6 40 47 7 41 722.27820 -0.00013 46 7 40 47 6 41 722.27820 -0.00013 46 5 41 47 6 42 722.49172 0.00009 46 6 41 47 5 42 722.49172 0.00009 46 4 42 47 5 43 722.70484 -0.00002 46 5 42 47 4 43 722.70484 -0.00002 46 4 43 47 3 44 722.91777 -0.00035 46 3 43 47 4 44 722.91777 -0.00035 46 3 44 47 2 45 723.13141 -0.00005 46 2 44 47 3 45 723.13141 -0.00005 46 2 45 47 1 46 723.34481 -0.00012 46 1 45 47 2 46 723.34481 -0.00012 46 0 46 45 1 45 750.07039 -0.00001 46 1 46 45 0 45 750.07039 -0.00001 46 2 45 45 1 44 750.26423 -0.00009 46 1 45 45 2 44 750.26423 -0.00009 46 2 44 45 3 43 750.45826 -0.00014 46 3 44 45 2 43 750.45826 -0.00014 46 3 43 45 4 42 750.65284 0.00017 46 4 43 45 3 42 750.65284 0.00017 46 4 42 45 5 41 750.84741 0.00023 46 5 42 45 4 41 750.84741 0.00023 46 5 41 45 6 40 751.04208 0.00009 46 6 41 45 5 40 751.04208 0.00009 46 6 40 45 7 39 751.23713 -0.00005 46 7 40 45 6 39 751.23713 -0.00005 46 7 39 45 8 38 751.43284 -0.00002 46 8 39 45 7 38 751.43284 -0.00002 46 8 38 45 9 37 751.62946 0.00031 46 9 38 45 8 37 751.62946 0.00031 46 9 37 45 10 36 751.82621 -0.00002 46 10 37 45 9 36 751.82621 -0.00002 46 10 36 45 11 35 752.02442 0.00012 46 11 36 45 10 35 752.02442 0.00012 46 13 33 45 14 32 752.62819 0.00012 46 14 33 45 13 32 752.62819 0.00012 47 14 34 48 13 35 720.47283 0.00001 47 12 36 48 11 37 720.90892 0.00028 47 11 36 48 12 37 720.90892 0.00028 47 11 37 48 10 38 721.12457 0.00011 47 10 37 48 11 38 721.12457 0.00011 47 9 38 48 10 39 721.33932 -0.00007 47 10 38 48 9 39 721.33932 -0.00007 47 8 39 48 9 40 721.55363 -0.00006 47 9 39 48 8 40 721.55363 -0.00006 47 7 41 48 6 42 721.98095 -0.00023 47 6 41 48 7 42 721.98095 -0.00023 47 6 42 48 5 43 722.19466 0.00001 47 5 42 48 6 43 722.19466 0.00001 47 5 43 48 4 44 722.40793 -0.00014 47 4 43 48 5 44 722.40793 -0.00014 47 2 45 48 3 46 722.83507 0.00001 47 3 45 48 2 46 722.83507 0.00001 47 1 46 48 2 47 723.04864 -0.00011 47 2 46 48 1 47 723.04864 -0.00011 47 1 47 46 0 46 750.33886 0.00004 47 0 47 46 1 46 750.33886 0.00004 47 2 46 46 1 45 750.53233 -0.00019 47 1 46 46 2 45 750.53233 -0.00019 47 3 45 46 2 44 750.72628 -0.00009 47 2 45 46 3 44 750.72628 -0.00009 47 4 44 46 3 43 750.92035 -0.00006 47 3 44 46 4 43 750.92035 -0.00006 47 5 43 46 4 42 751.11472 0.00004 47 4 43 46 5 42 751.11472 0.00004 47 5 42 46 6 41 751.30923 -0.00001 47 6 42 46 5 41 751.30923 -0.00001 47 7 41 46 6 40 751.50426 0.00010 47 6 41 46 7 40 751.50426 0.00010 47 9 39 46 8 38 751.89569 0.00018 47 8 39 46 9 38 751.89569 0.00018 47 11 37 46 10 36 752.28971 -0.00012 47 10 37 46 11 36 752.28971 -0.00012 47 12 36 46 11 35 752.48887 0.00022 47 11 36 46 12 35 752.48887 0.00022 47 13 35 46 12 34 752.68914 0.00012 47 12 35 46 13 34 752.68914 0.00012 47 14 34 46 13 33 752.89117 -0.00027 47 13 34 46 14 33 752.89117 -0.00027 48 12 36 49 13 37 720.39423 0.00014 48 13 36 49 12 37 720.39423 0.00014 48 8 40 49 9 41 721.25601 -0.00002 48 9 40 49 8 41 721.25601 -0.00002 48 6 42 49 7 43 721.68365 -0.00013 48 7 42 49 6 43 721.68365 -0.00013 48 5 43 49 6 44 721.89747 0.00005 48 6 43 49 5 44 721.89747 0.00005 48 3 45 49 4 46 722.32491 0.00023 48 4 45 49 3 46 722.32491 0.00023 48 3 46 49 2 47 722.53850 0.00008 48 2 46 49 3 47 722.53850 0.00008 48 2 47 49 1 48 722.75232 0.00001 48 1 47 49 2 48 722.75232 0.00001 48 0 48 49 1 49 722.96645 0.00006 48 1 48 49 0 49 722.96645 0.00006 48 1 47 47 2 46 750.80015 -0.00023 48 2 47 47 1 46 750.80015 -0.00023 48 2 46 47 3 45 750.99429 0.00028 48 3 46 47 2 45 750.99429 0.00028 48 4 45 47 3 44 751.18774 -0.00007 48 3 45 47 4 44 751.18774 -0.00007 48 4 44 47 5 43 751.38174 -0.00010 48 5 44 47 4 43 751.38174 -0.00010 48 6 43 47 5 42 751.57620 0.00005 48 5 43 47 6 42 751.57620 0.00005 48 7 42 47 6 41 751.77096 0.00015 48 6 42 47 7 41 751.77096 0.00015 48 7 41 47 8 40 751.96620 0.00029 48 8 41 47 7 40 751.96620 0.00029 48 9 39 47 10 38 752.35815 0.00028 48 10 39 47 9 38 752.35815 0.00028 48 11 37 47 12 36 752.75353 0.00016 48 12 37 47 11 36 752.75353 0.00016 49 11 39 50 10 40 720.52877 0.00012 49 10 39 50 11 40 720.52877 0.00012 49 9 40 50 10 41 720.74352 -0.00011 49 10 40 50 9 41 720.74352 -0.00011 49 9 41 50 8 42 720.95826 0.00017 49 8 41 50 9 42 720.95826 0.00017 49 8 42 50 7 43 721.17217 -0.00005 49 7 42 50 8 43 721.17217 -0.00005 49 6 44 50 5 45 721.59948 -0.00046 49 5 44 50 6 45 721.59948 -0.00046 49 4 45 50 5 46 721.81365 -0.00009 49 5 45 50 4 46 721.81365 -0.00009 49 3 46 50 4 47 722.02757 -0.00001 49 4 46 50 3 47 722.02757 -0.00001 49 3 47 50 2 48 722.24132 -0.00021 49 2 47 50 3 48 722.24132 -0.00021 49 0 49 50 1 50 722.66994 0.00002 49 1 49 50 0 50 722.66994 0.00002 49 1 49 48 0 48 750.87468 0.00004 49 0 49 48 1 48 750.87468 0.00004 49 2 48 48 1 47 751.06772 -0.00018 49 1 48 48 2 47 751.06772 -0.00018 49 3 47 48 2 46 751.26159 0.00029 49 2 47 48 3 46 751.26159 0.00029 49 4 46 48 3 45 751.45501 0.00013 49 3 46 48 4 45 751.45501 0.00013 49 5 45 48 4 44 751.64860 -0.00008 49 4 45 48 5 44 751.64860 -0.00008 49 6 44 48 5 43 751.84286 0.00012 49 5 44 48 6 43 751.84286 0.00012 49 8 42 48 7 41 752.23177 -0.00017 49 7 42 48 8 41 752.23177 -0.00017 49 11 39 48 10 38 752.81982 -0.00021 49 10 39 48 11 38 752.81982 -0.00021 50 10 40 51 11 41 720.23042 0.00010 50 11 40 51 10 41 720.23042 0.00010 50 8 42 51 9 43 720.65993 0.00003 50 9 42 51 8 43 720.65993 0.00003 50 6 44 51 7 45 721.08806 -0.00017 50 7 44 51 6 45 721.08806 -0.00017 50 5 45 51 6 46 721.30218 -0.00004 50 6 45 51 5 46 721.30218 -0.00004 50 4 46 51 5 47 721.51630 0.00010 50 5 46 51 4 47 721.51630 0.00010 50 4 47 51 3 48 721.72992 -0.00032 50 3 47 51 4 48 721.72992 -0.00032 50 3 48 51 2 49 721.94445 0.00005 50 2 48 51 3 49 721.94445 0.00005 50 2 49 51 1 50 722.15863 -0.00008 50 1 49 51 2 50 722.15863 -0.00008 50 0 50 49 1 49 751.14190 -0.00015 50 1 50 49 0 49 751.14190 -0.00015 50 2 49 49 1 48 751.33530 0.00021 50 1 49 49 2 48 751.33530 0.00021 50 2 48 49 3 47 751.52824 -0.00002 50 3 48 49 2 47 751.52824 -0.00002 50 3 47 49 4 46 751.72156 -0.00005 50 4 47 49 3 46 751.72156 -0.00005 50 4 46 49 5 45 751.91513 -0.00004 50 5 46 49 4 45 751.91513 -0.00004 50 5 45 49 6 44 752.10894 -0.00005 50 6 45 49 5 44 752.10894 -0.00005 50 6 44 49 7 43 752.30337 0.00025 50 7 44 49 6 43 752.30337 0.00025 50 8 43 49 7 42 752.49757 -0.00008 50 7 43 49 8 42 752.49757 -0.00008 50 9 41 49 10 40 752.88808 -0.00022 50 10 41 49 9 40 752.88808 -0.00022 50 10 40 49 11 39 753.08471 0.00002 50 11 40 49 10 39 753.08471 0.00002 51 10 42 52 9 43 720.14689 0.00011 51 9 42 52 10 43 720.14689 0.00011 51 9 43 52 8 44 720.36142 -0.00003 51 8 43 52 9 44 720.36142 -0.00003 51 8 44 52 7 45 720.57580 -0.00004 51 7 44 52 8 45 720.57580 -0.00004 51 6 46 52 5 47 721.00423 -0.00001 51 5 46 52 6 47 721.00423 -0.00001 51 5 47 52 4 48 721.21847 0.00005 51 4 47 52 5 48 721.21847 0.00005 51 2 49 52 3 50 721.64706 0.00004 51 3 49 52 2 50 721.64706 0.00004 51 2 50 52 1 51 721.86157 0.00004 51 1 50 52 2 51 721.86157 0.00004 51 0 51 52 1 52 722.07633 0.00009 51 1 51 52 0 52 722.07633 0.00009 51 1 51 50 0 50 751.40925 0.00014 51 0 51 50 1 50 751.40925 0.00014 51 2 50 50 1 49 751.60206 0.00013 51 1 50 50 2 49 751.60206 0.00013 51 3 49 50 2 48 751.79530 0.00041 51 2 49 50 3 48 751.79530 0.00041 51 4 48 50 3 47 751.98799 -0.00002 51 3 48 50 4 47 751.98799 -0.00002 51 5 47 50 4 46 752.18116 -0.00017 51 4 47 50 5 46 752.18116 -0.00017 51 6 46 50 5 45 752.37507 0.00017 51 5 46 50 6 45 752.37507 0.00017 51 7 45 50 6 44 752.56897 0.00020 51 6 45 50 7 44 752.56897 0.00020 51 8 44 50 7 43 752.76328 0.00025 51 7 44 50 8 43 752.76328 0.00025 51 9 43 50 8 42 752.95773 -0.00001 51 8 43 50 9 42 752.95773 -0.00001 52 8 44 53 9 45 720.06257 -0.00017 52 9 44 53 8 45 720.06257 -0.00017 52 7 45 53 8 46 720.27706 -0.00022 52 8 45 53 7 46 720.27706 -0.00022 52 4 48 53 5 49 720.92045 0.00006 52 5 48 53 4 49 720.92045 0.00006 52 3 49 53 4 50 721.13494 0.00011 52 4 49 53 3 50 721.13494 0.00011 52 1 51 53 2 52 721.56414 0.00002 52 2 51 53 1 52 721.56414 0.00002 52 1 52 53 0 53 721.77905 0.00001 52 0 52 53 1 53 721.77905 0.00001 52 0 52 51 1 51 751.67590 0.00006 52 1 52 51 0 51 751.67590 0.00006 52 1 51 51 2 50 751.86825 -0.00019 52 2 51 51 1 50 751.86825 -0.00019 52 2 50 51 3 49 752.06135 0.00018 52 3 50 51 2 49 752.06135 0.00018 52 5 48 51 4 47 752.44732 0.00017 52 4 48 51 5 47 752.44732 0.00017 52 5 47 51 6 46 752.64060 0.00013 52 6 47 51 5 46 752.64060 0.00013 52 7 45 51 8 44 753.02808 0.00001 52 8 45 51 7 44 753.02808 0.00001 53 8 46 54 7 47 719.97801 -0.00045 53 7 46 54 8 47 719.97801 -0.00045 53 7 47 54 6 48 720.19305 0.00002 53 6 47 54 7 48 720.19305 0.00002 53 6 48 54 5 49 720.40750 -0.00005 53 5 48 54 6 49 720.40750 -0.00005 53 4 49 54 5 50 720.62193 -0.00018 53 5 49 54 4 50 720.62193 -0.00018 53 3 50 54 4 51 720.83670 -0.00005 53 4 50 54 3 51 720.83670 -0.00005 53 3 51 54 2 52 721.05157 0.00005 53 2 51 54 3 52 721.05157 0.00005 53 1 52 54 2 53 721.26631 -0.00015 53 2 52 54 1 53 721.26631 -0.00015 53 0 53 54 1 54 721.48169 0.00010 53 1 53 54 0 54 721.48169 0.00010 53 1 53 52 0 52 751.94232 0.00009 53 0 53 52 1 52 751.94232 0.00009 53 2 52 52 1 51 752.13464 0.00003 53 1 52 52 2 51 752.13464 0.00003 53 3 51 52 2 50 752.32695 -0.00016 53 2 51 52 3 50 752.32695 -0.00016 53 4 50 52 3 49 752.52004 0.00027 53 3 50 52 4 49 752.52004 0.00027 53 4 49 52 5 48 752.71259 -0.00004 53 5 49 52 4 48 752.71259 -0.00004 53 8 46 52 7 45 753.29275 -0.00003 54 6 48 55 7 49 719.89421 0.00008 54 7 48 55 6 49 719.89421 0.00008 54 6 49 55 5 50 720.10856 -0.00028 54 5 49 55 6 50 720.10856 -0.00028 54 3 51 55 4 52 720.53836 -0.00007 54 4 51 55 3 52 720.53836 -0.00007 54 1 53 55 2 54 720.96884 0.00029 54 2 53 55 1 54 720.96884 0.00029 54 1 54 55 0 55 721.18398 0.00008 54 0 54 55 1 55 721.18398 0.00008 54 2 53 53 1 52 752.40062 0.00019 54 1 53 53 2 52 752.40062 0.00019 54 2 52 53 3 51 752.59292 0.00020 54 3 52 53 2 51 752.59292 0.00020 54 4 50 53 5 49 752.97789 0.00013 54 5 50 53 4 49 752.97789 0.00013 54 5 49 53 6 48 753.17056 -0.00004 54 6 49 53 5 48 753.17056 -0.00004 55 5 51 56 4 52 720.02451 -0.00032 55 4 51 56 5 52 720.02451 -0.00032 55 3 53 56 2 54 720.45472 -0.00034 55 2 53 56 3 54 720.45472 -0.00034 55 2 54 56 1 55 720.67061 0.00020 55 1 54 56 2 55 720.67061 0.00020 55 1 55 56 0 56 720.88604 0.00008 55 0 55 56 1 56 720.88604 0.00008 55 0 55 54 1 54 752.47404 0.00006 55 1 55 54 0 54 752.47404 0.00006 55 2 54 54 1 53 752.66602 0.00010 55 1 54 54 2 53 752.66602 0.00010 55 2 53 54 3 52 752.85806 0.00009 55 3 53 54 2 52 752.85806 0.00009 55 5 51 54 4 50 753.24256 0.00000 55 4 51 54 5 50 753.24256 0.00000 55 6 50 54 5 49 753.43505 -0.00011 55 5 50 54 6 49 753.43505 -0.00011 56 5 52 57 4 53 719.72540 -0.00043 56 4 52 57 5 53 719.72540 -0.00043 56 4 53 57 3 54 719.94069 -0.00038 56 3 53 57 4 54 719.94069 -0.00038 56 2 54 57 3 55 720.15636 -0.00010 56 3 54 57 2 55 720.15636 -0.00010 56 1 55 57 2 56 720.37185 -0.00017 56 2 55 57 1 56 720.37185 -0.00017 56 1 56 57 0 57 720.58757 -0.00022 56 0 56 57 1 57 720.58757 -0.00022 56 0 56 55 1 55 752.73939 0.00005 56 1 56 55 0 55 752.73939 0.00005 56 4 53 55 3 52 753.31510 0.00023 56 3 53 55 4 52 753.31510 0.00023 57 3 54 58 4 55 719.64183 -0.00020 57 4 54 58 3 55 719.64183 -0.00020 57 3 55 58 2 56 719.85754 -0.00009 57 2 55 58 3 56 719.85754 -0.00009 57 1 57 58 0 58 720.28932 -0.00005 57 0 57 58 1 58 720.28932 -0.00005 57 2 56 56 1 55 753.19597 0.00012 57 1 56 56 2 55 753.19597 0.00012 58 1 57 59 2 58 719.77470 0.00017 58 2 57 59 1 58 719.77470 0.00017 58 1 58 59 0 59 719.99060 -0.00012 58 0 58 59 1 59 719.99060 -0.00012 58 0 58 57 1 57 753.26916 0.00013 58 1 58 57 0 57 753.26916 0.00013 58 2 57 57 1 56 753.46038 0.00008 58 1 57 57 2 56 753.46038 0.00008 58 2 56 57 3 55 753.65165 -0.00004 58 3 56 57 2 55 753.65165 -0.00004 59 2 58 60 1 59 719.47536 -0.00007 59 1 58 60 2 59 719.47536 -0.00007 59 1 59 58 0 58 753.53342 0.00007 59 0 59 58 1 58 753.53342 0.00007 59 1 58 58 2 57 753.72427 -0.00014 60 1 60 61 0 61 719.39274 0.00004 60 0 60 61 1 61 719.39274 0.00004 Table S6: Observed transitions (in cm-1) for the nu14 band of SCB (0+ -->nu14-) tunnelling state. J' Ka' Kc' J" Ka" Kc" obs. obs.-calc. 3 1 2 3 2 1 736.99307 -0.00006 3 1 2 3 0 3 737.70230 -0.00005 3 2 2 3 1 3 737.85921 0.00004 4 0 4 4 1 3 736.64558 0.00015 4 2 2 4 3 1 736.84536 0.00008 4 2 2 4 1 3 737.65764 -0.00011 5 2 4 5 3 3 736.50951 -0.00001 5 2 3 5 3 2 736.85664 -0.00008 5 3 2 5 2 3 737.70353 0.00001 5 1 4 5 0 5 738.14899 -0.00017 6 6 0 7 7 1 733.27513 0.00006 6 3 3 6 2 4 737.77099 0.00014 6 4 2 6 3 3 737.86863 0.00021 6 3 4 6 2 5 738.19183 -0.00011 6 5 2 6 4 3 738.28204 0.00009 6 5 2 5 4 1 740.45489 -0.00009 7 7 0 8 8 1 732.68412 0.00007 7 6 1 8 7 2 732.91161 -0.00019 7 1 6 7 2 5 736.25735 0.00000 7 4 4 7 5 3 736.26080 0.00002 7 4 3 7 5 2 736.42312 0.00001 7 1 6 7 0 7 738.57524 -0.00008 7 4 4 6 3 3 740.35045 -0.00007 7 7 1 6 6 0 741.27817 -0.00026 8 8 0 9 9 1 732.09282 0.00013 8 7 1 9 8 2 732.31984 0.00010 8 4 4 9 5 5 733.29872 -0.00015 8 3 5 9 4 6 733.82884 -0.00007 8 3 6 9 2 7 734.22615 -0.00016 8 6 3 8 7 2 735.83063 0.00018 8 6 2 8 7 1 735.83600 -0.00005 8 2 7 8 3 6 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