Electronic Supplementary Material (ESI) for Physical Chemistry Chemical Physics This journal is © The Owner Societies 2011 Infrared spectra of CS2 trimer: Observation of an isomer with D3 symmetry by M. Rezaei, J. Norooz Oliaee, N. Moazzen-Ahmadi, A.R.W. McKellar Table A-1. Observed transitions for the perpendicular band of CS2 trimer in the CS2 nu3 fundamental region (values in units of 1/cm). ************************************************************************************** J' Ka' l' J" Ka" Observed Calculated Obs-Calc Weight ************************************************************************************** 16 4 +1 17 3 1523.98689 1523.98642 0.00046 1.0 19 14 -1 20 15 1524.01350 1524.01361 -0.00011 1.0 17 5 -1 18 6 1524.01592 1524.01605 -0.00013 1.0 14 4 +1 15 3 1524.05811 1524.05814 -0.00003 1.0 17 11 -1 18 12 1524.06139 1524.06144 -0.00005 1.0 15 2 -1 16 3 1524.06569 1524.06573 -0.00004 1.0 17 14 -1 18 15 1524.08536 1524.08518 0.00017 0.3 15 5 -1 16 6 1524.08704 1524.08730 -0.00026 0.3 13 4 +1 14 3 1524.09386 1524.09389 -0.00003 1.0 16 11 -1 17 12 1524.09706 1524.09716 -0.00010 1.0 14 2 -1 15 3 1524.10127 1524.10124 0.00002 1.0 16 14 -1 17 15 1524.12101 1524.12091 0.00009 1.0 14 5 -1 15 6 1524.12254 1524.12289 -0.00035 1.0 12 4 +1 13 3 1524.12962 1524.12957 0.00004 1.0 15 11 -1 16 12 1524.13284 1524.13284 -0.00000 1.0 13 2 -1 14 3 1524.13673 1524.13673 -0.00000 1.0 11 4 +1 12 3 1524.16523 1524.16519 0.00003 1.0 14 11 -1 15 12 1524.16850 1524.16849 0.00000 1.0 13 8 -1 14 9 1524.18095 1524.18095 -0.00000 0.3 11 1 +1 12 0 1524.18264 1524.18310 -0.00046 0.3 10 4 +1 11 3 1524.20094 1524.20075 0.00018 1.0 13 11 -1 14 12 1524.20411 1524.20410 0.00000 1.0 11 2 -1 12 3 1524.20760 1524.20767 -0.00007 1.0 11 5 -1 12 6 1524.22954 1524.22951 0.00002 1.0 9 4 +1 10 3 1524.23625 1524.23625 -0.00000 1.0 12 11 -1 13 12 1524.24000 1524.23968 0.00031 1.0 10 2 -1 11 3 1524.24318 1524.24311 0.00006 1.0 11 8 -1 12 9 1524.25197 1524.25204 -0.00007 1.0 10 5 -1 11 6 1524.26500 1524.26498 0.00001 1.0 11 11 -1 12 12 1524.27536 1524.27522 0.00013 1.0 9 2 -1 10 3 1524.27844 1524.27852 -0.00008 1.0 9 5 -1 10 6 1524.30039 1524.30042 -0.00003 1.0 8 2 -1 9 3 1524.31388 1524.31391 -0.00003 1.0 9 8 -1 10 9 1524.32303 1524.32298 0.00004 1.0 7 1 +1 8 0 1524.32638 1524.32659 -0.00021 1.0 8 5 -1 9 6 1524.33586 1524.33583 0.00002 1.0 6 2 -1 7 3 1524.38457 1524.38458 -0.00001 1.0 5 1 +1 6 0 1524.39777 1524.39782 -0.00005 1.0 5 2 -1 6 3 1524.41985 1524.41987 -0.00002 1.0 5 5 -1 6 6 1524.44187 1524.44183 0.00003 1.0 4 2 -1 5 3 1524.45509 1524.45512 -0.00003 1.0 3 1 +1 4 0 1524.46855 1524.46870 -0.00015 1.0 3 2 -1 4 3 1524.49030 1524.49033 -0.00003 1.0 3 1 +1 2 0 1524.71429 1524.71404 0.00024 1.0 4 4 +1 3 3 1524.72870 1524.72845 0.00024 1.0 5 4 +1 4 3 1524.76339 1524.76329 0.00009 1.0 5 1 +1 4 0 1524.78352 1524.78335 0.00016 1.0 6 4 +1 5 3 1524.79830 1524.79808 0.00021 1.0 7 7 +1 6 6 1524.81260 1524.81272 -0.00012 1.0 7 4 +1 6 3 1524.83296 1524.83283 0.00012 1.0 8 7 +1 7 6 1524.84746 1524.84743 0.00002 1.0 7 1 +1 6 0 1524.85235 1524.85232 0.00002 1.0 8 4 +1 7 3 1524.86758 1524.86753 0.00004 1.0 9 7 +1 8 6 1524.88212 1524.88210 0.00001 1.0 10 10 +1 9 9 1524.89709 1524.89723 -0.00014 1.0 9 4 +1 8 3 1524.90211 1524.90218 -0.00007 1.0 10 7 +1 9 6 1524.91642 1524.91673 -0.00031 1.0 9 1 +1 8 0 1524.92081 1524.92094 -0.00013 1.0 11 10 +1 10 9 1524.93168 1524.93182 -0.00014 1.0 11 7 +1 10 6 1524.95137 1524.95130 0.00006 1.0 11 4 +1 10 3 1524.97121 1524.97131 -0.00010 1.0 13 13 +1 12 12 1524.98193 1524.98199 -0.00006 1.0 11 1 +1 10 0 1524.98892 1524.98922 -0.00030 1.0 13 10 +1 12 9 1525.00081 1525.00086 -0.00005 1.0 12 4 +1 11 3 1525.00580 1525.00578 0.00001 1.0 14 13 +1 13 12 1525.01629 1525.01645 -0.00016 1.0 14 10 +1 13 9 1525.03544 1525.03531 0.00012 1.0 13 4 +1 12 3 1525.04025 1525.04020 0.00004 1.0 15 13 +1 14 12 1525.05083 1525.05087 -0.00004 0.3 16 16 +1 15 15 1525.06669 1525.06698 -0.00029 0.3 15 10 +1 14 9 1525.07006 1525.06971 0.00034 0.3 14 4 +1 13 3 1525.07490 1525.07455 0.00034 0.3 16 13 +1 15 12 1525.08504 1525.08524 -0.00020 0.3 15 7 +1 14 6 1525.08915 1525.08908 0.00006 0.3 17 16 +1 16 15 1525.10148 1525.10132 0.00015 0.3 16 10 +1 15 9 1525.10435 1525.10406 0.00028 0.3 18 16 +1 17 15 1525.13590 1525.13562 0.00027 0.3 17 10 +1 16 9 1525.13886 1525.13835 0.00050 0.3 16 4 +1 15 3 1525.14341 1525.14302 0.00038 0.3 17 7 +1 16 6 1525.15825 1525.15763 0.00061 0.3 19 16 +1 18 15 1525.17018 1525.16986 0.00031 0.3 18 10 +1 17 9 1525.17340 1525.17259 0.00080 0.3 17 4 +1 16 3 1525.17748 1525.17715 0.00032 0.3