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 trimer
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
3118 3.208 1.223 A 0.9595
3105 3.221 4.811 A 0.9595
3099 3.227 5.356 A 0.9595
3086 3.24 22.66 A 0.9595
3074 3.253 17.24 A 0.9595
3073 3.254 30.01 A 0.9595
3073 3.255 54.52 A 0.9595
3071 3.256 14.02 A 0.9595
3071 3.256 28.97 A 0.9595
3068 3.259 60.91 A 0.9595
3066 3.262 66 A 0.9595
3065 3.262 43.73 A 0.9595
3064 3.263 7.539 A 0.9595
3063 3.265 39.03 A 0.9595
3061 3.266 0.3923 A 0.9595
3057 3.272 23.25 A 0.9595
3056 3.272 2.702 A 0.9595
3055 3.273 5.475 A 0.9595
3053 3.275 19.82 A 0.9595
3049 3.279 21.36 A 0.9595
3048 3.281 2.705 A 0.9595
3047 3.282 15.08 A 0.9595
3047 3.282 1.81 A 0.9595
3044 3.285 8.2 A 0.9595
3044 3.285 4.634 A 0.9595
3043 3.286 1.344 A 0.9595
3043 3.287 2.17 A 0.9595
3042 3.287 4 A 0.9595
3041 3.288 3.444 A 0.9595
3040 3.289 1.124 A 0.9595
1608 6.218 0.72 A 0.9523
1607 6.223 0.5357 A 0.9523
1606 6.227 0.6874 A 0.9523
1582 6.319 9.392 A 0.9523
1582 6.323 0.7871 A 0.9523
1581 6.323 4.331 A 0.9523
1575 6.349 13.09 A 0.9523
1575 6.351 5.651 A 0.9523
1573 6.356 11.23 A 0.9523
1561 6.406 0.4876 A 0.9523
1560 6.411 1.318 A 0.9523
1559 6.416 0.8606 A 0.9523
1538 6.503 0.3448 A 0.9523
1537 6.505 0.1454 A 0.9523
1537 6.507 0.5515 A 0.9523
1485 6.733 0.0422 A 0.9523
1485 6.734 0.015 A 0.9523
1484 6.739 0.0841 A 0.9523
1463 6.838 0.3988 A 0.9523
1462 6.842 9.878 A 0.9523
1461 6.845 8.04 A 0.9523
1433 6.979 0.742 A 0.9523
1432 6.983 0.166 A 0.9523
1432 6.984 0.0888 A 0.9523
1418 7.05 0.4341 A 0.9523
1417 7.056 1.16 A 0.9523
1417 7.058 10.25 A 0.9523
1415 7.066 5.748 A 0.9523
1415 7.068 10.36 A 0.9523
1413 7.075 8.208 A 0.9523
1401 7.139 2.649 A 0.9523
1400 7.144 0.2453 A 0.9523
1399 7.147 0.1221 A 0.9523
1383 7.231 0.3688 A 0.9523
1382 7.238 0.6087 A 0.9523
1380 7.245 0.055 A 0.9523
1353 7.39 0.0856 A 0.9523
1353 7.393 0.4176 A 0.9523
1350 7.406 0.2756 A 0.9523
1313 7.615 0.1685 A 0.9523
1312 7.62 0.1124 A 0.9523
1312 7.623 0.0651 A 0.9523
1307 7.654 0.2988 A 0.9523
1306 7.657 10.52 A 0.9523
1304 7.667 2.915 A 0.9523
1247 8.019 6.195 A 0.9523
1243 8.046 1.716 A 0.9523
1241 8.055 7.367 A 0.9523
1240 8.062 0.3905 A 0.9523
1239 8.068 0.0336 A 0.9523
1239 8.072 0.1385 A 0.9523
1232 8.117 0.0711 A 0.9523
1231 8.12 0.5142 A 0.9523
1231 8.127 0.6904 A 0.9523
1198 8.35 0.1042 A 0.9523
1197 8.353 0.0454 A 0.9523
1196 8.359 0.0579 A 0.9523
1169 8.551 19.32 A 0.9523
1168 8.56 16.76 A 0.9523
1167 8.566 0.4084 A 0.9523
1163 8.597 0.2524 A 0.9523
1162 8.608 0.0687 A 0.9523
1161 8.612 0.1238 A 0.9523
1143 8.745 0.9536 A 0.9523
1142 8.758 1.438 A 0.9523
1141 8.761 0.967 A 0.9523
1136 8.806 1.23 A 0.9523
1135 8.812 0.9393 A 0.9523
1134 8.821 0.1405 A 0.9523
1096 9.123 0.3671 A 0.9523
1096 9.126 0.0754 A 0.9523
1095 9.133 0.1002 A 0.9523
1080 9.259 1.584 A 0.9523
1078 9.277 3.693 A 0.9523
1078 9.279 3.901 A 0.9523
1057 9.461 0.694 A 0.9563
1056 9.465 0.0654 A 0.9563
1056 9.472 0.2541 A 0.9563
1014 9.858 4.187 A 0.9563
994.9 10.05 4.136 A 0.9563
992.7 10.07 0.2792 A 0.9563
991.7 10.08 0.2789 A 0.9563
991 10.09 0.7489 A 0.9563
986.9 10.13 6.875 A 0.9563
980.3 10.2 5.745 A 0.9563
978.6 10.22 4.777 A 0.9563
976.7 10.24 5.017 A 0.9563
971.3 10.3 4.233 A 0.9563
970.3 10.31 0.167 A 0.9563
969.5 10.31 0.3679 A 0.9563
965.7 10.35 3.368 A 0.9563
959.5 10.42 1.179 A 0.9563
956.2 10.46 0.4634 A 0.9563
950.6 10.52 0.39 A 0.9563
949.7 10.53 0.2681 A 0.9563
949.1 10.54 0.2782 A 0.9563
929.9 10.75 0.8048 A 0.9563
915 10.93 3.231 A 0.9563
905 11.05 2.715 A 0.9563
900.9 11.1 0.2918 A 0.9563
894.1 11.18 2.79 A 0.9563
889.7 11.24 1.555 A 0.9563
852.8 11.73 71.51 A 0.9563
846 11.82 67.89 A 0.9563
841.7 11.88 270.3 A 0.9563
825.9 12.11 0.3501 A 0.9563
821.6 12.17 2.437 A 0.9563
817.7 12.23 1.007 A 0.9563
817.7 12.23 3.37 A 0.9563
817.5 12.23 1.822 A 0.9563
816.4 12.25 1.419 A 0.9563
813.5 12.29 0.713 A 0.9563
805.6 12.41 3.487 A 0.9563
800.9 12.49 0.1329 A 0.9563
800.6 12.49 0.1143 A 0.9563
800.1 12.5 0.7451 A 0.9563
799.6 12.51 0.341 A 0.9563
778.2 12.85 0.7992 A 0.9563
769.2 13 5.551 A 0.9563
764 13.09 2.179 A 0.9563
752.1 13.3 4.999 A 0.9563
745.5 13.41 7.825 A 0.9563
738.7 13.54 24.8 A 0.9563
737.3 13.56 0.0239 A 0.9563
736.7 13.57 0.576 A 0.9563
736.2 13.58 1.531 A 0.9563
714.9 13.99 9.437 A 0.9563
708.8 14.11 16.72 A 0.9563
705.3 14.18 91.36 A 0.9563
690 14.49 0.408 A 0.9563
689.7 14.5 0.5602 A 0.9563
689.5 14.5 0.5391 A 0.9563
679.2 14.72 0.2885 A 0.9563
675.4 14.81 1.139 A 0.9563
673.3 14.85 0.4173 A 0.9563
584.2 17.12 0.0633 A 0.9563
579.3 17.26 0.0979 A 0.9563
577.2 17.33 0.0506 A 0.9563
575.8 17.37 0.082 A 0.9563
574.5 17.41 0.0922 A 0.9563
574 17.42 0.005 A 0.9563
549.5 18.2 0.8409 A 0.9563
548.4 18.23 0.9116 A 0.9563
547.6 18.26 4.112 A 0.9563
534.7 18.7 0.2058 A 0.9563
526.7 18.98 1.072 A 0.9563
522.4 19.14 0.3088 A 0.9563
509.2 19.64 0.684 A 0.9563
506.2 19.76 0.3557 A 0.9563
504.3 19.83 0.6492 A 0.9563
500.7 19.97 1.431 A 0.9563
500.1 19.99 0.3566 A 0.9563
499.6 20.01 0.8105 A 0.9563
498 20.08 0.9689 A 0.9563
497.2 20.11 2.014 A 0.9563
496.8 20.13 1.732 A 0.9563
492.1 20.32 1.247 A 0.9563
489.1 20.45 0.3599 A 0.9563
487.4 20.52 4.482 A 0.9563
455.3 21.97 0.0722 A 0.9563
454.4 22.01 0.2177 A 0.9563
453.8 22.04 0.065 A 0.9563
407.5 24.54 0.0099 A 0.9563
405.5 24.66 0.1284 A 0.9563
404.7 24.71 0.0636 A 0.9563
403.6 24.78 0.0216 A 0.9563
400 25 0.0126 A 0.9563
399.1 25.05 0.1211 A 0.9563
353.3 28.31 3.603 A 0.9563
351.9 28.42 0.4326 A 0.9563
351.5 28.45 0.9938 A 0.9563
269.4 37.12 0.1244 A 0.9563
265.7 37.64 0.078 A 0.9563
262.4 38.11 0.1808 A 0.9563
258.5 38.68 0.1639 A 0.9563
257.3 38.86 0.0252 A 0.9563
252 39.68 0.1341 A 0.9563
230.1 43.46 0.1381 A 0.9563
221.8 45.09 1.649 A 0.9563
210.2 47.57 24.61 A 0.9563
177.7 56.28 0.3199 A 0.9563
172.7 57.91 0.1149 A 0.9563
154.7 64.63 0.1195 A 0.9563
122.3 81.74 0.598 A 0.9563
120.4 83.08 0.1569 A 0.9563
109.2 91.56 0.7258 A 0.9563
95.44 104.8 0.1977 A 0.9563
88.86 112.5 0.092 A 0.9563
86.5 115.6 0.0364 A 0.9563
65.03 153.8 0.0969 A 0.9563
51.33 194.8 0.0113 A 0.9563
40.51 246.8 0.0717 A 0.9563
32.18 310.8 0.0161 A 0.9563
29.2 342.5 0.0249 A 0.9563
25.55 391.4 0.0085 A 0.9563
20.28 493.1 0.0095 A 0.9563
15.77 634 0.0109 A 0.9563
9.758 1025 0.0108 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)