An older version of the theoretical database is currently selected, click here to switch to the latest
Cluster
You need a browser with JavaScript support in order to view the molecule in 3D
monomer C16H10
type pentamer
conformation herringbone
scaling factor multiple (3)

TransitionsLeft-clk & drag: Zoom; Right-clk: reset

Transitions

Frequency
[wavenumbers]
Wavelength
[microns]
Integrated cross-section
[km/mol]
Symmetry Scaling factor
3138 3.186 1.592 A 0.9595
3126 3.199 0.544 A 0.9595
3118 3.208 1.523 A 0.9595
3110 3.215 0.9014 A 0.9595
3099 3.227 4.564 A 0.9595
3093 3.234 2.282 A 0.9595
3086 3.241 23.2 A 0.9595
3084 3.243 28.86 A 0.9595
3082 3.245 24.95 A 0.9595
3077 3.25 5.376 A 0.9595
3076 3.251 18.48 A 0.9595
3074 3.253 16.13 A 0.9595
3071 3.256 34.96 A 0.9595
3068 3.259 53.68 A 0.9595
3067 3.261 47.59 A 0.9595
3067 3.261 60.17 A 0.9595
3066 3.262 28.53 A 0.9595
3065 3.262 8.393 A 0.9595
3064 3.263 47.92 A 0.9595
3064 3.264 40.73 A 0.9595
3063 3.264 87.17 A 0.9595
3063 3.265 10.99 A 0.9595
3061 3.266 11.8 A 0.9595
3061 3.267 10.74 A 0.9595
3059 3.269 1.517 A 0.9595
3058 3.27 3.805 A 0.9595
3058 3.27 1.66 A 0.9595
3057 3.271 2.77 A 0.9595
3056 3.272 24.13 A 0.9595
3055 3.274 2.332 A 0.9595
3053 3.275 0.6753 A 0.9595
3051 3.277 5.106 A 0.9595
3051 3.278 5.679 A 0.9595
3049 3.279 22.26 A 0.9595
3048 3.281 22.71 A 0.9595
3046 3.283 9.038 A 0.9595
3045 3.284 4.24 A 0.9595
3044 3.285 16.38 A 0.9595
3044 3.285 1.578 A 0.9595
3043 3.286 5.543 A 0.9595
3043 3.286 2.612 A 0.9595
3043 3.287 3.343 A 0.9595
3042 3.287 4.143 A 0.9595
3042 3.287 1.86 A 0.9595
3041 3.288 1.165 A 0.9595
3041 3.289 3.379 A 0.9595
3041 3.289 4.856 A 0.9595
3040 3.29 2.014 A 0.9595
3040 3.29 2.73 A 0.9595
3039 3.291 1.069 A 0.9595
1610 6.213 0.2714 A 0.9523
1608 6.217 1.264 A 0.9523
1608 6.218 1.431 A 0.9523
1608 6.22 2.006 A 0.9523
1608 6.221 1.054 A 0.9523
1583 6.315 15.31 A 0.9523
1583 6.318 9.43 A 0.9523
1583 6.319 0.5467 A 0.9523
1582 6.321 1.398 A 0.9523
1582 6.323 0.6814 A 0.9523
1577 6.342 6.329 A 0.9523
1576 6.346 13.03 A 0.9523
1575 6.348 6.69 A 0.9523
1575 6.349 7.869 A 0.9523
1575 6.349 5.668 A 0.9523
1563 6.399 0.3835 A 0.9523
1561 6.406 1.833 A 0.9523
1560 6.41 1.789 A 0.9523
1560 6.411 0.1109 A 0.9523
1559 6.413 0.3341 A 0.9523
1539 6.498 0.3219 A 0.9523
1538 6.5 0.5335 A 0.9523
1538 6.502 0.5148 A 0.9523
1538 6.503 0.3017 A 0.9523
1538 6.503 0.6152 A 0.9523
1487 6.725 0.0366 A 0.9523
1486 6.731 0.1065 A 0.9523
1485 6.734 0.0047 A 0.9523
1485 6.734 0.017 A 0.9523
1485 6.736 0.082 A 0.9523
1465 6.828 1.293 A 0.9523
1463 6.835 5.197 A 0.9523
1463 6.836 1.641 A 0.9523
1462 6.841 13.59 A 0.9523
1462 6.841 8.372 A 0.9523
1434 6.971 1.291 A 0.9523
1433 6.977 0.6698 A 0.9523
1433 6.979 0.132 A 0.9523
1432 6.984 0.2124 A 0.9523
1431 6.986 0.0625 A 0.9523
1421 7.036 0.7322 A 0.9523
1419 7.048 2.32 A 0.9523
1418 7.052 5.566 A 0.9523
1417 7.055 5.787 A 0.9523
1417 7.058 11.03 A 0.9523
1417 7.059 2.291 A 0.9523
1415 7.066 10.38 A 0.9523
1415 7.067 9.222 A 0.9523
1415 7.067 3.726 A 0.9523
1415 7.068 4.758 A 0.9523
1401 7.137 2.134 A 0.9523
1401 7.138 0.6784 A 0.9523
1400 7.143 0.8571 A 0.9523
1399 7.147 0.0176 A 0.9523
1399 7.148 1.887 A 0.9523
1385 7.22 0.1292 A 0.9523
1384 7.226 0.9687 A 0.9523
1383 7.231 0.3786 A 0.9523
1383 7.233 0.7439 A 0.9523
1382 7.234 0.6755 A 0.9523
1356 7.376 1.246 A 0.9523
1354 7.387 0.0602 A 0.9523
1353 7.39 0.0938 A 0.9523
1353 7.392 0.2121 A 0.9523
1352 7.396 0.0895 A 0.9523
1315 7.607 0.0149 A 0.9523
1314 7.611 0.1231 A 0.9523
1313 7.614 0.3552 A 0.9523
1313 7.616 0.3546 A 0.9523
1312 7.621 0.8067 A 0.9523
1311 7.627 4.172 A 0.9523
1309 7.639 0.6372 A 0.9523
1307 7.649 4.57 A 0.9523
1307 7.652 4.92 A 0.9523
1307 7.654 3.767 A 0.9523
1248 8.016 5.42 A 0.9523
1245 8.033 0.6492 A 0.9523
1244 8.041 5.975 A 0.9523
1243 8.048 9.61 A 0.9523
1241 8.055 5.443 A 0.9523
1241 8.058 0.7971 A 0.9523
1240 8.063 0.1307 A 0.9523
1240 8.065 0.1965 A 0.9523
1239 8.069 0.1722 A 0.9523
1239 8.071 0.042 A 0.9523
1234 8.107 1.267 A 0.9523
1232 8.115 0.4355 A 0.9523
1232 8.117 0.0498 A 0.9523
1232 8.118 0.6358 A 0.9523
1231 8.122 0.7201 A 0.9523
1200 8.336 0.4071 A 0.9523
1198 8.345 0.2337 A 0.9523
1198 8.349 0.0587 A 0.9523
1197 8.351 0.1175 A 0.9523
1197 8.352 0.0599 A 0.9523
1171 8.54 7.862 A 0.9523
1170 8.548 16.72 A 0.9523
1168 8.564 11.22 A 0.9523
1168 8.564 4.431 A 0.9523
1168 8.565 12.17 A 0.9523
1164 8.592 0.2559 A 0.9523
1162 8.603 0.9812 A 0.9523
1162 8.607 0.1036 A 0.9523
1161 8.614 0.1133 A 0.9523
1160 8.619 6.939 A 0.9523
1145 8.736 0.7403 A 0.9523
1144 8.744 1.109 A 0.9523
1142 8.755 0.6775 A 0.9523
1142 8.757 1.241 A 0.9523
1141 8.761 2.437 A 0.9523
1135 8.808 0.9408 A 0.9523
1135 8.809 1.285 A 0.9523
1135 8.814 0.1952 A 0.9523
1134 8.818 1.688 A 0.9523
1134 8.821 0.1186 A 0.9523
1098 9.105 0.0207 A 0.9523
1096 9.122 0.1602 A 0.9523
1096 9.123 0.0269 A 0.9523
1096 9.128 1.787 A 0.9523
1095 9.131 0.1098 A 0.9523
1081 9.253 0.1554 A 0.9523
1080 9.256 3.225 A 0.9523
1079 9.27 2.892 A 0.9523
1078 9.279 3.341 A 0.9523
1078 9.28 2.297 A 0.9523
1059 9.444 0.9887 A 0.9563
1058 9.451 0.7418 A 0.9563
1057 9.461 0.4746 A 0.9563
1056 9.467 0.0905 A 0.9563
1056 9.473 0.3452 A 0.9563
1006 9.941 2.211 A 0.9563
998.7 10.01 3.544 A 0.9563
994.8 10.05 0.8815 A 0.9563
993.7 10.06 0.145 A 0.9563
992.8 10.07 0.06 A 0.9563
992.3 10.08 0.0221 A 0.9563
992 10.08 0.3017 A 0.9563
988.6 10.12 0.8084 A 0.9563
984.5 10.16 3.654 A 0.9563
979.8 10.21 0.6714 A 0.9563
977.5 10.23 4.568 A 0.9563
976 10.25 5.072 A 0.9563
973.4 10.27 5.055 A 0.9563
971.5 10.29 3.105 A 0.9563
969.8 10.31 5.194 A 0.9563
968.4 10.33 0.6507 A 0.9563
967.6 10.33 2.341 A 0.9563
966.1 10.35 0.8638 A 0.9563
964.2 10.37 2.1 A 0.9563
962 10.4 0.3495 A 0.9563
960.9 10.41 1.981 A 0.9563
958 10.44 0.6727 A 0.9563
957.7 10.44 1.647 A 0.9563
955 10.47 0.8461 A 0.9563
952.2 10.5 1.001 A 0.9563
952.1 10.5 1.44 A 0.9563
950.7 10.52 1.218 A 0.9563
950.1 10.53 0.4571 A 0.9563
949.6 10.53 0.1126 A 0.9563
949.4 10.53 0.0513 A 0.9563
918.9 10.88 2.998 A 0.9563
916.6 10.91 0.5713 A 0.9563
913.3 10.95 4.081 A 0.9563
905.7 11.04 2.952 A 0.9563
900.8 11.1 2.648 A 0.9563
895.4 11.17 1.153 A 0.9563
892.1 11.21 0.1362 A 0.9563
890.7 11.23 0.5819 A 0.9563
890 11.24 4.168 A 0.9563
885.6 11.29 1.667 A 0.9563
848.2 11.79 8.229 A 0.9563
845.6 11.83 38.72 A 0.9563
844.9 11.84 67.46 A 0.9563
842 11.88 82.74 A 0.9563
838.4 11.93 483.4 A 0.9563
822.7 12.16 1.184 A 0.9563
821.5 12.17 1.689 A 0.9563
819.3 12.21 3.689 A 0.9563
819.2 12.21 1.362 A 0.9563
818.7 12.22 2.837 A 0.9563
818.1 12.22 1.077 A 0.9563
817.7 12.23 1.462 A 0.9563
816.8 12.24 0.6851 A 0.9563
816.2 12.25 0.1139 A 0.9563
815.1 12.27 0.5467 A 0.9563
808.2 12.37 2.047 A 0.9563
805.9 12.41 0.474 A 0.9563
804.9 12.42 4.358 A 0.9563
801.4 12.48 0.0989 A 0.9563
800.8 12.49 0.266 A 0.9563
800.7 12.49 0.2117 A 0.9563
800.2 12.5 0.8433 A 0.9563
800 12.5 0.1932 A 0.9563
799.4 12.51 2.117 A 0.9563
796.8 12.55 0.8077 A 0.9563
773.2 12.93 5.673 A 0.9563
769 13 0.9131 A 0.9563
766.5 13.05 2.563 A 0.9563
763.6 13.1 7.861 A 0.9563
759 13.18 3.015 A 0.9563
747.1 13.39 0.0357 A 0.9563
743.9 13.44 7.627 A 0.9563
741.9 13.48 8.727 A 0.9563
739.7 13.52 7.252 A 0.9563
738 13.55 1.997 A 0.9563
737.4 13.56 2.216 A 0.9563
737 13.57 1.598 A 0.9563
736.6 13.58 0.0353 A 0.9563
736.5 13.58 3.851 A 0.9563
734.4 13.62 40.81 A 0.9563
710.9 14.07 0.0553 A 0.9563
709.1 14.1 12.33 A 0.9563
708.5 14.11 10.21 A 0.9563
706.3 14.16 14.17 A 0.9563
702.8 14.23 170.9 A 0.9563
690.8 14.48 2.038 A 0.9563
690.2 14.49 0.2061 A 0.9563
689.9 14.5 1.103 A 0.9563
689.8 14.5 0.5826 A 0.9563
689.7 14.5 0.1782 A 0.9563
677.1 14.77 0.153 A 0.9563
675.6 14.8 0.175 A 0.9563
675 14.82 0.6794 A 0.9563
673.8 14.84 0.5809 A 0.9563
671.2 14.9 0.5105 A 0.9563
580.8 17.22 0.0547 A 0.9563
580.4 17.23 0.0372 A 0.9563
578 17.3 0.065 A 0.9563
578 17.3 0.0376 A 0.9563
577.2 17.33 0.1279 A 0.9563
576.2 17.35 0.0276 A 0.9563
575.5 17.38 0.0368 A 0.9563
575 17.39 0.2113 A 0.9563
574.5 17.41 0.0779 A 0.9563
574.2 17.42 0.1277 A 0.9563
550.2 18.17 1.129 A 0.9563
549.4 18.2 0.5516 A 0.9563
548.5 18.23 0.1799 A 0.9563
548.2 18.24 4.551 A 0.9563
547.6 18.26 1.079 A 0.9563
532.5 18.78 0.0024 A 0.9563
530.9 18.84 0.5879 A 0.9563
527.4 18.96 0.0621 A 0.9563
524.7 19.06 1.967 A 0.9563
519.8 19.24 0.1696 A 0.9563
508.3 19.67 0.1951 A 0.9563
507.6 19.7 0.7808 A 0.9563
505.5 19.78 0.1688 A 0.9563
504.4 19.82 0.149 A 0.9563
502.8 19.89 0.9358 A 0.9563
501.3 19.95 0.7054 A 0.9563
499.8 20.01 0.5911 A 0.9563
499.5 20.02 0.2491 A 0.9563
499.4 20.03 0.7436 A 0.9563
499.1 20.04 0.256 A 0.9563
498.6 20.06 0.8771 A 0.9563
497.6 20.1 2.229 A 0.9563
497.3 20.11 1.256 A 0.9563
496.5 20.14 1.977 A 0.9563
496.2 20.15 1.548 A 0.9563
491.2 20.36 0.2145 A 0.9563
489.9 20.41 1.025 A 0.9563
489.4 20.43 0.588 A 0.9563
488.6 20.47 0.7578 A 0.9563
487.3 20.52 7.536 A 0.9563
456.1 21.92 0.0494 A 0.9563
455.2 21.97 0.0412 A 0.9563
454.6 22 0.5872 A 0.9563
454.3 22.01 0.058 A 0.9563
453.9 22.03 0.0182 A 0.9563
406.9 24.57 0.2954 A 0.9563
406.1 24.63 0.0453 A 0.9563
405.7 24.65 0.0946 A 0.9563
405.2 24.68 0.1067 A 0.9563
404.7 24.71 0.1029 A 0.9563
403.5 24.78 0.017 A 0.9563
401.8 24.89 0.0432 A 0.9563
399.9 25.01 0.1974 A 0.9563
398.2 25.11 0.1158 A 0.9563
397 25.19 0.0412 A 0.9563
353.6 28.28 4.485 A 0.9563
353 28.33 0.203 A 0.9563
352.3 28.38 0.348 A 0.9563
351.5 28.45 1.109 A 0.9563
351.2 28.47 0.3461 A 0.9563
276.5 36.16 0.0446 A 0.9563
269.7 37.07 0.1146 A 0.9563
268.2 37.29 0.0108 A 0.9563
265.3 37.69 0.0987 A 0.9563
263.4 37.97 0.3604 A 0.9563
261.5 38.24 0.0739 A 0.9563
260.6 38.37 0.0575 A 0.9563
259.2 38.58 0.0274 A 0.9563
255.5 39.13 0.0749 A 0.9563
253.2 39.49 0.043 A 0.9563
237.6 42.09 0.589 A 0.9563
230.1 43.46 0.2837 A 0.9563
224.4 44.57 1.726 A 0.9563
218.3 45.8 2.256 A 0.9563
211.6 47.25 35.95 A 0.9563
183.9 54.39 0.1953 A 0.9563
181.6 55.05 0.5633 A 0.9563
173.6 57.62 0.8262 A 0.9563
164.4 60.83 0.063 A 0.9563
154.8 64.58 0.0234 A 0.9563
137.8 72.55 0.2101 A 0.9563
129.8 77.04 0.0876 A 0.9563
128.1 78.09 0.0156 A 0.9563
124.6 80.25 0.3586 A 0.9563
120.9 82.68 1.798 A 0.9563
111.7 89.52 0.0708 A 0.9563
109 91.75 0.2861 A 0.9563
106.2 94.2 0.103 A 0.9563
98.35 101.7 0.0971 A 0.9563
89.93 111.2 0.0638 A 0.9563
82.32 121.5 0.1098 A 0.9563
80.6 124.1 0.0976 A 0.9563
77.21 129.5 0.1673 A 0.9563
69.41 144.1 0.0305 A 0.9563
57.4 174.2 0.0477 A 0.9563
53.46 187.1 0.144 A 0.9563
46.64 214.4 0.1418 A 0.9563
42.32 236.3 0.0677 A 0.9563
40.53 246.8 0.0269 A 0.9563
37.38 267.5 0.055 A 0.9563
34.87 286.8 0.011 A 0.9563
31.83 314.2 0.0403 A 0.9563
29.67 337 0.0084 A 0.9563
24.34 410.8 0.0468 A 0.9563
23.18 431.4 0.0859 A 0.9563
19.9 502.4 0.0022 A 0.9563
19.54 511.8 0.0011 A 0.9563
16.12 620.4 0.0016 A 0.9563
10.86 920.8 0.006 A 0.9563

Vibrations

Note(s):


You are kindly asked to consider the following references for citation when using the database:


700 species present in version 2.00 of the theoretical database (Oct 29, 2013)