NASA Ames PAH IR Spectroscopic Database

Transitions

Frequency [wavenumbers]	Wavelength [microns]	Integrated cross-section [km/mol]	Symmetry	Scaling factor
3080	3.247	33.51	?A	0.958
3079	3.248	54.6	?A	0.958
3079	3.248	22.73	?A	0.958
3078	3.248	25.35	?A	0.958
3078	3.249	32.65	?A	0.958
3063	3.265	0.7453	?A	0.958
3062	3.266	0.4791	?A	0.958
3061	3.266	7.509	?A	0.958
3061	3.267	7.738	?A	0.958
3060	3.267	1.832	?A	0.958
3060	3.268	4.451	?A	0.958
3059	3.269	5.602	?A	0.958
3058	3.27	8.253	?A	0.958
3056	3.272	5.415	?A	0.958
3054	3.274	11.81	?A	0.958
2969	3.369	22.5	?A	0.958
2952	3.387	30.49	?A	0.958
2888	3.462	24.69	?A	0.958
2873	3.481	0.8992	?A	0.958
2862	3.494	11.5	?A	0.958
2856	3.501	1.112	?A	0.958
1613	6.201	27.97	?A	0.958
1606	6.225	65.08	?A	0.958
1596	6.265	113.7	?A	0.958
1593	6.278	6.576	?A	0.958
1587	6.302	13.21	?A	0.958
1582	6.321	100.6	?A	0.958
1579	6.331	47.35	?A	0.958
1574	6.354	85.05	?A	0.958
1570	6.37	134.4	?A	0.958
1560	6.412	18.19	?A	0.958
1556	6.425	107.4	?A	0.958
1543	6.483	134.6	?A	0.958
1535	6.514	4.714	?A	0.958
1521	6.577	115.5	?A	0.958
1510	6.623	23.41	?A	0.958
1497	6.678	31.97	?A	0.958
1488	6.719	17.57	?A	0.958
1483	6.743	45.53	?A	0.958
1477	6.771	8.426	?A	0.958
1468	6.811	4.123	?A	0.958
1465	6.827	26.78	?A	0.958
1460	6.848	8.215	?A	0.958
1456	6.869	9.019	?A	0.958
1454	6.879	6.025	?A	0.958
1451	6.893	33.18	?A	0.958
1449	6.904	6.983	?A	0.958
1435	6.966	13.42	?A	0.958
1435	6.97	3.755	?A	0.958
1425	7.017	3.955	?A	0.958
1419	7.047	12.31	?A	0.958
1415	7.068	4.244	?A	0.958
1404	7.123	4.765	?A	0.958
1398	7.154	4.004	?A	0.958
1397	7.16	2.579	?A	0.958
1394	7.172	1.776	?A	0.958
1388	7.202	46.34	?A	0.958
1386	7.217	45.55	?A	0.958
1384	7.225	8.908	?A	0.958
1378	7.255	5.554	?A	0.958
1375	7.273	14.78	?A	0.958
1374	7.28	20.34	?A	0.958
1365	7.326	12.05	?A	0.958
1360	7.353	0.1028	?A	0.958
1357	7.37	1.523	?A	0.958
1355	7.382	45.35	?A	0.958
1348	7.419	28.22	?A	0.958
1340	7.465	66.04	?A	0.958
1328	7.528	151.1	?A	0.958
1326	7.543	93	?A	0.958
1320	7.578	58.89	?A	0.958
1317	7.592	130	?A	0.958
1311	7.625	45.84	?A	0.958
1307	7.65	22.08	?A	0.958
1298	7.703	12.9	?A	0.958
1285	7.782	44.38	?A	0.958
1278	7.822	30.18	?A	0.958
1276	7.837	71.95	?A	0.958
1274	7.851	9.69	?A	0.958
1265	7.905	32.54	?A	0.958
1260	7.937	10.75	?A	0.958
1239	8.07	43.91	?A	0.958
1230	8.132	4.582	?A	0.958
1219	8.204	1.504	?A	0.958
1212	8.249	0.5187	?A	0.958
1207	8.282	6.097	?A	0.958
1199	8.34	1.867	?A	0.958
1199	8.344	19.91	?A	0.958
1192	8.387	45.78	?A	0.958
1189	8.41	19.26	?A	0.958
1179	8.481	64.09	?A	0.958
1175	8.512	60.55	?A	0.958
1171	8.538	4.769	?A	0.958
1161	8.614	1.362	?A	0.958
1154	8.665	3.505	?A	0.958
1152	8.683	5.785	?A	0.958
1128	8.863	2.385	?A	0.958
1116	8.963	6.215	?A	0.958
1106	9.04	2.234	?A	0.958
1101	9.082	16.45	?A	0.958
1091	9.164	0.7253	?A	0.958
1077	9.288	0.2926	?A	0.958
1028	9.728	5.021	?A	0.958
1020	9.806	3.775	?A	0.958
1006	9.943	4.436	?A	0.958
998.6	10.01	2.165	?A	0.958
989.1	10.11	1.074	?A	0.958
989	10.11	0.2355	?A	0.958
987.4	10.13	0.0521	?A	0.958
984.7	10.15	0.0964	?A	0.958
982.8	10.17	0.1991	?A	0.958
981.8	10.19	0.7348	?A	0.958
980.1	10.2	6.928	?A	0.958
976.1	10.24	1.208	?A	0.958
962.9	10.39	4.904	?A	0.958
931.4	10.74	0.0929	?A	0.958
920.4	10.86	141.1	?A	0.958
913.4	10.95	13.13	?A	0.958
911.9	10.97	20.31	?A	0.958
901.3	11.09	0.9849	?A	0.958
899.9	11.11	1.035	?A	0.958
886.8	11.28	0.2012	?A	0.958
883	11.33	1.008	?A	0.958
855.4	11.69	1.132	?A	0.958
846.6	11.81	1.941	?A	0.958
837.8	11.94	1.833	?A	0.958
832.5	12.01	5.069	?A	0.958
826.3	12.1	2.146	?A	0.958
822.2	12.16	1.853	?A	0.958
820.1	12.19	0.7217	?A	0.958
812.6	12.31	2.789	?A	0.958
808	12.38	1.054	?A	0.958
799.2	12.51	0.726	?A	0.958
795.4	12.57	2.715	?A	0.958
791.9	12.63	40.48	?A	0.958
780	12.82	0.859	?A	0.958
774.3	12.91	0.0053	?A	0.958
772.7	12.94	1.61	?A	0.958
770.2	12.98	0.7931	?A	0.958
765.1	13.07	0.0084	?A	0.958
751.7	13.3	2.625	?A	0.958
750.5	13.32	4.398	?A	0.958
743.6	13.45	0.3227	?A	0.958
739	13.53	0.6635	?A	0.958
725.2	13.79	2.537	?A	0.958
722.7	13.84	5.056	?A	0.958
711.5	14.06	8.028	?A	0.958
700.7	14.27	0.0054	?A	0.958
696.1	14.37	2.106	?A	0.958
684.2	14.62	0.506	?A	0.958
679.7	14.71	1.573	?A	0.958
668	14.97	0.3209	?A	0.958
653.4	15.31	1.908	?A	0.958
650.9	15.36	3.786	?A	0.958
645.7	15.49	2.967	?A	0.958
631.7	15.83	1.322	?A	0.958
624.9	16	0.2849	?A	0.958
619.9	16.13	1.677	?A	0.958
616	16.23	0.7673	?A	0.958
615.4	16.25	0.0775	?A	0.958
609.1	16.42	0.0493	?A	0.958
600.9	16.64	0.4442	?A	0.958
591.7	16.9	1.099	?A	0.958
588.4	17	0.9192	?A	0.958
586.5	17.05	0.5508	?A	0.958
580.7	17.22	2.745	?A	0.958
570.2	17.54	3.087	?A	0.958
562.4	17.78	8.993	?A	0.958
560.4	17.85	3.742	?A	0.958
557.5	17.94	0.0978	?A	0.958
554.2	18.04	0.1592	?A	0.958
545.8	18.32	1.029	?A	0.958
531.5	18.82	0.7038	?A	0.958
529.1	18.9	1.217	?A	0.958
523	19.12	0.7951	?A	0.958
505.2	19.79	2.756	?A	0.958
499.3	20.03	3.98	?A	0.958
495.8	20.17	1.786	?A	0.958
489.4	20.43	0.6304	?A	0.958
471.3	21.22	0.2808	?A	0.958
464.8	21.52	0.5421	?A	0.958
452.3	22.11	0.0839	?A	0.958
448.9	22.28	1.651	?A	0.958
447.2	22.36	0.6137	?A	0.958
419.2	23.86	1.33	?A	0.958
388.8	25.72	0.3376	?A	0.958
385.5	25.94	0.0775	?A	0.958
383	26.11	1.239	?A	0.958
379.4	26.36	0.4836	?A	0.958
375.6	26.63	0.335	?A	0.958
369.2	27.08	0.2946	?A	0.958
361.3	27.68	1.176	?A	0.958
359.4	27.82	0.2131	?A	0.958
343.1	29.14	0.7228	?A	0.958
338.1	29.58	0.1784	?A	0.958
328.8	30.42	1.048	?A	0.958
316.5	31.6	0.0469	?A	0.958
308.5	32.41	0.3348	?A	0.958
278	35.97	0.3747	?A	0.958
269	37.18	3.184	?A	0.958
263.3	37.97	3.551	?A	0.958
260	38.47	2.622	?A	0.958
247.9	40.33	1.745	?A	0.958
247.3	40.44	3.467	?A	0.958
231.8	43.14	4.031	?A	0.958
225.8	44.29	1.27	?A	0.958
221.9	45.06	1.962	?A	0.958
217.6	45.97	0.0481	?A	0.958
184.7	54.16	0.4063	?A	0.958
169	59.16	0.6621	?A	0.958
133.1	75.16	0.0195	?A	0.958
128.4	77.9	0.1662	?A	0.958
125.8	79.47	0.0574	?A	0.958
121.3	82.41	0.5731	?A	0.958
84.84	117.9	0.9737	?A	0.958
69.65	143.6	0.0151	?A	0.958
56.4	177.3	4.474	?A	0.958
36.15	276.6	0.0561	?A	0.958
34.7	288.1	0.2059	?A	0.958

Vibrations

Note(s):

Circum coronene+ with 3 hydrogens on same side

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

Bauschlicher, Jr., C.W., Ricca, A., Boersma, C., Allamandola, L.J., "THE NASA AMES PAH IR SPECTROSCOPIC DATABASE: COMPUTATIONAL VERSION 3.00 WITH UPDATED CONTENT AND THE INTRODUCTION OF MULTIPLE SCALING FACTORS", The Astrophysical Journal Supplement Series, 234, 32, 2018 10.3847/1538-4365/aaa019 — BibTeX - RIS
Boersma, C., Bauschlicher, Jr., C.W., Ricca, A., Mattioda, A.L., Cami, J., Peeters, E., Sánchez de Armas, F., Puerta Saborido, G., Hudgins, D.M., Allamandola, L.J., "THE NASA AMES PAH IR SPECTROSCOPIC DATABASE VERSION 2.00: UPDATED CONTENT, WEBSITE AND ON/OFFLINE TOOLS", The Astrophysical Journal Supplement Series, 211, 8, 2014 10.1088/0067-0049/211/1/8 — BibTeX - RIS
Mattioda, A.L., Hudgins, D. M., Boersma, C., Ricca, A., Peeters, E., Cami, J., Sánchez de Armas, F., Puerta Saborido, G., Bauschlicher, C.W., J., and Allamandola, L.J. "THE NASA AMES PAH IR SPECTROSCOPIC DATABASE: THE LABORATORY SPECTRA", The Astrophysical Journal Supplement Series, 251, 22, 2020 10.3847/1538-4365/abc2c8 — BibTeX - RIS
Ricca, A., Boersma, C., Maragkoudakis, A., Roser, J.E., Shannon, M.J., Allamandola, L.J., Bauschlicher Jr., C.W., "THE NASA AMES PAH IR SPECTROSCOPIC DATABASE: COMPUTATIONAL VERSION 4.00, SOFTWARE TOOLS, WEBSITE, AND DOCUMENTATION", The Astrophysical Journal Supplement Series, XXX, YYY, 2025 10.3847/1538-4365/ae1c38 — BibTeX - RIS