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 graphite
scaling factor multiple (3)

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

Transitions

Frequency
[wavenumbers]
Wavelength
[microns]
Integrated cross-section
[km/mol]
Symmetry Scaling factor
3095 3.231 10.25 A1 0.9595
3084 3.243 44.07 A1 0.9595
3083 3.243 0.0179 B1 0.9595
3068 3.26 83.12 A1 0.9595
3068 3.26 1.874 B1 0.9595
3066 3.262 21.61 A1 0.9595
3065 3.262 132.8 B2 0.9595
3064 3.264 29.41 A1 0.9595
3063 3.265 0.2354 B1 0.9595
3063 3.265 0 A2 0.9595
3063 3.265 18.28 A1 0.9595
3062 3.265 51.87 B2 0.9595
3061 3.266 0.3809 B2 0.9595
3059 3.269 0.3172 A1 0.9595
3058 3.27 4.501 B2 0.9595
3058 3.27 0 A2 0.9595
3053 3.275 0.9125 A1 0.9595
3053 3.275 0.0087 B1 0.9595
3049 3.28 34.54 B2 0.9595
3049 3.28 0 A2 0.9595
3046 3.283 19.1 B2 0.9595
3042 3.288 1.893 A1 0.9595
3042 3.288 0.1689 B1 0.9595
3040 3.289 2.637 B2 0.9595
3040 3.289 0 A2 0.9595
3040 3.29 5.574 A1 0.9595
3039 3.29 0.0508 B1 0.9595
3039 3.291 0.4019 A1 0.9595
3038 3.292 4.596 B2 0.9595
3036 3.294 1.998 A1 0.9595
1610 6.212 1.129 A1 0.9523
1608 6.217 0.6192 A1 0.9523
1608 6.217 0.2481 B1 0.9523
1584 6.313 17.87 B2 0.9523
1583 6.317 0 A2 0.9523
1582 6.321 0.8184 B2 0.9523
1577 6.342 6.808 A1 0.9523
1576 6.347 14.34 A1 0.9523
1576 6.347 0.0042 B1 0.9523
1563 6.398 0.0343 B2 0.9523
1560 6.409 0 A2 0.9523
1559 6.413 0.7443 B2 0.9523
1539 6.498 1.121 A1 0.9523
1538 6.501 0.1785 B1 0.9523
1538 6.501 0.101 A1 0.9523
1487 6.727 0.0091 B2 0.9523
1486 6.731 0.0069 B2 0.9523
1486 6.731 0 A2 0.9523
1465 6.824 0.0615 B2 0.9523
1463 6.833 0 A2 0.9523
1463 6.835 7.771 B2 0.9523
1433 6.977 0.0773 A1 0.9523
1432 6.983 0.0015 B1 0.9523
1432 6.984 0.0014 A1 0.9523
1418 7.053 0.3165 B2 0.9523
1416 7.06 0 A2 0.9523
1416 7.061 1.956 B2 0.9523
1416 7.062 12.72 A1 0.9523
1415 7.068 0.0333 B1 0.9523
1415 7.068 18.88 A1 0.9523
1399 7.147 0.0213 B2 0.9523
1399 7.149 0.0173 B2 0.9523
1399 7.149 0 A2 0.9523
1385 7.222 1.024 A1 0.9523
1382 7.234 0.0041 B1 0.9523
1382 7.234 0.4308 A1 0.9523
1355 7.378 0.0063 B2 0.9523
1353 7.392 0.0035 B2 0.9523
1353 7.392 0 A2 0.9523
1313 7.615 0.2886 A1 0.9523
1312 7.622 0.1435 B1 0.9523
1312 7.622 0.0692 A1 0.9523
1312 7.625 0.9743 B2 0.9523
1307 7.652 0 A2 0.9523
1306 7.655 13.25 B2 0.9523
1242 8.051 7.827 A1 0.9523
1242 8.055 0.0814 B1 0.9523
1242 8.055 4.981 A1 0.9523
1239 8.074 0.0033 B2 0.9523
1238 8.075 0 A2 0.9523
1238 8.077 0.2029 B2 0.9523
1233 8.11 0.017 A1 0.9523
1232 8.119 0.0839 B1 0.9523
1232 8.12 0.027 A1 0.9523
1199 8.342 0.431 B2 0.9523
1198 8.35 0 A2 0.9523
1198 8.351 0.1545 B2 0.9523
1168 8.564 18.07 B2 0.9523
1167 8.571 0 A2 0.9523
1167 8.572 7.417 B2 0.9523
1163 8.601 0.0323 B2 0.9523
1162 8.606 0 A2 0.9523
1161 8.613 3.467 B2 0.9523
1143 8.752 0.1213 B2 0.9523
1141 8.761 0 A2 0.9523
1141 8.762 3.598 B2 0.9523
1133 8.824 0.0007 A1 0.9523
1133 8.825 0.0659 B1 0.9523
1133 8.828 0.024 A1 0.9523
1097 9.116 0.1012 B2 0.9523
1096 9.125 0 A2 0.9523
1096 9.126 0.2092 B2 0.9523
1078 9.28 3.941 A1 0.9523
1077 9.287 4.466 A1 0.9523
1077 9.287 0.0055 B1 0.9523
1057 9.464 0.0607 A1 0.9563
1055 9.474 0.1184 B1 0.9563
1055 9.478 0.3736 A1 0.9563
993 10.07 0.0317 A1 0.9563
992 10.08 0.0343 B1 0.9563
991.6 10.08 0.1445 A1 0.9563
973.9 10.27 2.438 B1 0.9563
973.3 10.27 1.51 A1 0.9563
967 10.34 0.0376 B1 0.9563
963.5 10.38 0.0001 A1 0.9563
962.9 10.38 0 A2 0.9563
962.4 10.39 3.441 B1 0.9563
962.3 10.39 0.4005 B2 0.9563
955.5 10.47 0.0235 B1 0.9563
953.9 10.48 0 A2 0.9563
953.9 10.48 1.612 A1 0.9563
953 10.49 0.3723 B1 0.9563
951.5 10.51 1.584 B2 0.9563
950.1 10.52 0 A2 0.9563
950 10.53 0.1479 B2 0.9563
944 10.59 0.246 B1 0.9563
902.2 11.08 0 A2 0.9563
899.9 11.11 8.16 B2 0.9563
892.5 11.2 0 A2 0.9563
887.4 11.27 0 A2 0.9563
886.4 11.28 0.3024 B2 0.9563
879.9 11.37 0 A2 0.9563
839.7 11.91 92.9 B1 0.9563
839.6 11.91 0.0881 A1 0.9563
833.1 12 291.7 B1 0.9563
818.7 12.21 0.27 A1 0.9563
818.3 12.22 2.653 B1 0.9563
818 12.23 5.283 A1 0.9563
817.5 12.23 0.0586 B1 0.9563
816.9 12.24 0.0503 A1 0.9563
812.3 12.31 1.464 B1 0.9563
800.4 12.49 0.0355 A1 0.9563
800 12.5 0.0533 B1 0.9563
800 12.5 0.141 A1 0.9563
796.8 12.55 0 A2 0.9563
795.8 12.57 3.001 B2 0.9563
789.5 12.67 0 A2 0.9563
762.3 13.12 0.2927 B1 0.9563
761.6 13.13 10.76 A1 0.9563
755.7 13.23 0.0087 B1 0.9563
737.3 13.56 0.0081 B2 0.9563
737.2 13.57 13.62 B1 0.9563
736.9 13.57 0.0039 B2 0.9563
736.9 13.57 0 A2 0.9563
736.5 13.58 2.11 A1 0.9563
728 13.74 36.94 B1 0.9563
705.3 14.18 19.51 B1 0.9563
704.3 14.2 0.04 A1 0.9563
699.5 14.3 95.33 B1 0.9563
690.4 14.49 0.3988 A1 0.9563
689.9 14.5 0.1873 A1 0.9563
689.9 14.5 0.2282 B1 0.9563
673.7 14.84 0 A2 0.9563
672.7 14.86 0.0544 B2 0.9563
670.1 14.92 0 A2 0.9563
575.7 17.37 0.0134 A1 0.9563
575.5 17.38 0.1459 B1 0.9563
575.3 17.38 0.0578 A1 0.9563
574.4 17.41 0.03 B1 0.9563
574.4 17.41 0.0254 A1 0.9563
573.2 17.45 0.0823 B1 0.9563
548 18.25 3.864 B2 0.9563
547.7 18.26 0 A2 0.9563
547.4 18.27 0.3414 B2 0.9563
524.8 19.06 0 A2 0.9563
522.2 19.15 1.659 B2 0.9563
519.1 19.26 0 A2 0.9563
502.1 19.91 0.8088 B1 0.9563
501.7 19.93 0.1861 A1 0.9563
501.3 19.95 0.0244 B1 0.9563
499.9 20 0.022 B2 0.9563
499.4 20.03 0 A2 0.9563
499.2 20.03 0.1172 B2 0.9563
497.4 20.1 4.274 A1 0.9563
497.1 20.12 0.004 B1 0.9563
496.9 20.12 0.5358 A1 0.9563
488.3 20.48 0.789 B1 0.9563
487.4 20.52 0.0042 A1 0.9563
485 20.62 4.872 B1 0.9563
454.2 22.02 0.0003 B2 0.9563
453.6 22.05 0 A2 0.9563
453.1 22.07 0.0149 B2 0.9563
405 24.69 0.1432 A1 0.9563
404.6 24.72 0.1076 B1 0.9563
404.5 24.72 0.0005 A1 0.9563
398.6 25.09 0 A2 0.9563
395.7 25.27 0 B2 0.9563
393.9 25.39 0 A2 0.9563
351.6 28.44 2.132 B2 0.9563
351.3 28.47 0 A2 0.9563
351 28.49 0.1522 B2 0.9563
272.4 36.72 0.0282 B1 0.9563
263.2 38 0.259 A1 0.9563
261.2 38.29 0.0567 B1 0.9563
258.3 38.71 0 A2 0.9563
251.4 39.77 0.008 B2 0.9563
249.1 40.15 0 A2 0.9563
229.4 43.58 0.493 B1 0.9563
215.9 46.31 0.0078 A1 0.9563
212.7 47.01 22.55 B1 0.9563
177.4 56.38 0 A2 0.9563
161.3 62 0.0014 B2 0.9563
154.1 64.87 0 A2 0.9563
138.9 72 0.6291 B1 0.9563
127.5 78.43 0.6144 B1 0.9563
118 84.75 0.0878 A1 0.9563
114.1 87.62 0.3557 B1 0.9563
107.5 93.03 0 A2 0.9563
78.59 127.3 0.5901 B1 0.9563
76.09 131.4 0.0286 A1 0.9563
66.76 149.8 0.0183 B2 0.9563
53.75 186 0.0172 A1 0.9563
36.1 277 0 A2 0.9563
34.57 289.3 0.0219 A1 0.9563
34.14 292.9 0.007 B1 0.9563
33.99 294.2 0.0013 B2 0.9563
22.06 453.4 0.0108 B2 0.9563
11.31 884 0 A2 0.9563

Vibrations

Note(s):


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


556 species present in version 1.00 of the theoretical database (Dec 2, 2008)