NASA Ames PAH IR Spectroscopic Database

Transitions

Frequency [wavenumbers]	Wavelength [microns]	Integrated cross-section [km/mol]	Symmetry	Scaling factor
3072	3.255	44.31	A₁	0.958
3072	3.255	36.97	B₂	0.958
3067	3.261	9.105	A₁	0.958
3067	3.261	89.58	B₂	0.958
3066	3.261	150	A₁	0.958
3066	3.262	104.1	B₂	0.958
3065	3.262	3.87	A₁	0.958
3049	3.28	0.1159	A₁	0.958
3049	3.28	51.17	B₂	0.958
3047	3.282	14.88	B₂	0.958
3047	3.282	5.72	A₁	0.958
3047	3.282	13.67	B₂	0.958
3046	3.283	12.66	A₁	0.958
3045	3.284	1.105	B₂	0.958
3045	3.285	15.32	A₁	0.958
3044	3.285	0.7715	B₂	0.958
3043	3.286	1.232	A₁	0.958
3043	3.286	1.321	B₂	0.958
2019	4.952	0.061	A₁	0.958
1614	6.197	4.399	A₁	0.958
1609	6.213	23	B₂	0.958
1604	6.236	5.556	A₁	0.958
1603	6.237	0.0019	B₂	0.958
1594	6.273	5.88	B₂	0.958
1594	6.274	36.53	A₁	0.958
1590	6.289	24.28	B₂	0.958
1581	6.323	4.888	B₂	0.958
1578	6.338	6.03	A₁	0.958
1577	6.341	0.102	A₁	0.958
1572	6.361	0.0918	B₂	0.958
1559	6.415	4.885	B₂	0.958
1558	6.417	0.7589	A₁	0.958
1550	6.45	1.597	B₂	0.958
1538	6.501	0.3734	A₁	0.958
1519	6.583	12.92	B₂	0.958
1512	6.614	5.213	A₁	0.958
1501	6.664	1.46	A₁	0.958
1486	6.73	3.877	B₂	0.958
1485	6.733	0.1487	A₁	0.958
1481	6.753	3.677	B₂	0.958
1477	6.77	3.793	A₁	0.958
1477	6.77	0.8714	B₂	0.958
1470	6.801	2.459	A₁	0.958
1468	6.813	0.0366	B₂	0.958
1459	6.856	0.1307	B₂	0.958
1452	6.887	0.2501	A₁	0.958
1446	6.918	6.657	A₁	0.958
1439	6.951	4.019	A₁	0.958
1436	6.963	0.6555	B₂	0.958
1435	6.971	0.0007	B₂	0.958
1429	6.996	0.0083	B₂	0.958
1423	7.025	0.0211	A₁	0.958
1422	7.033	0.3739	B₂	0.958
1405	7.117	0.0209	B₂	0.958
1403	7.127	0.7028	A₁	0.958
1400	7.143	0.0314	A₁	0.958
1394	7.176	0.3687	B₂	0.958
1392	7.185	2.361	A₁	0.958
1392	7.186	1.009	B₂	0.958
1388	7.205	14.31	A₁	0.958
1384	7.225	2.557	B₂	0.958
1383	7.229	0.1335	A₁	0.958
1381	7.242	0.0865	A₁	0.958
1374	7.276	0.9443	B₂	0.958
1368	7.308	5.864	B₂	0.958
1366	7.321	9.007	A₁	0.958
1363	7.335	0.1394	A₁	0.958
1361	7.347	0.1499	B₂	0.958
1361	7.349	1.674	A₁	0.958
1355	7.38	1.608	B₂	0.958
1346	7.43	11.62	A₁	0.958
1346	7.43	1.306	B₂	0.958
1338	7.475	0.0037	A₁	0.958
1327	7.537	0.0262	A₁	0.958
1325	7.546	0.8995	B₂	0.958
1319	7.581	0.8203	A₁	0.958
1313	7.619	0.6683	A₁	0.958
1311	7.626	4.539	B₂	0.958
1294	7.729	2.829	B₂	0.958
1288	7.766	0.0158	A₁	0.958
1282	7.8	5.884	B₂	0.958
1281	7.808	0.1274	A₁	0.958
1278	7.824	11.59	B₂	0.958
1271	7.87	3.359	A₁	0.958
1264	7.909	0.5595	B₂	0.958
1258	7.951	1.738	A₁	0.958
1239	8.072	7.026	A₁	0.958
1228	8.146	3.501	A₁	0.958
1223	8.175	1.206	B₂	0.958
1220	8.198	0.019	B₂	0.958
1208	8.279	12.19	A₁	0.958
1202	8.316	9.511	B₂	0.958
1202	8.318	0.2184	A₁	0.958
1193	8.382	7.116	A₁	0.958
1191	8.395	0.5665	B₂	0.958
1181	8.464	0.5051	B₂	0.958
1175	8.512	0.1713	A₁	0.958
1158	8.632	0.7746	A₁	0.958
1157	8.646	5.078	B₂	0.958
1150	8.696	3.619	B₂	0.958
1145	8.736	0.1573	A₁	0.958
1139	8.777	0.7365	A₁	0.958
1133	8.824	0.6042	A₁	0.958
1132	8.837	4.836	B₂	0.958
1097	9.115	0.6078	A₁	0.958
1078	9.274	6.034	B₂	0.958
1077	9.288	4.459	A₁	0.958
1054	9.49	0.0903	B₂	0.958
1036	9.648	1.356	A₁	0.958
1026	9.747	0.1089	B₂	0.958
1011	9.891	0.1937	A₁	0.958
1004	9.961	0.7791	A₁	0.958
993	10.07	0.0327	B₂	0.958
980.5	10.2	0.0819	B₂	0.958
977.3	10.23	0	A₂	0.958
976.6	10.24	0.0096	B₁	0.958
976.3	10.24	0	A₂	0.958
975.7	10.25	0.0032	B₁	0.958
975.7	10.25	0.3964	B₂	0.958
970.7	10.3	0	A₂	0.958
915.8	10.92	3.184	B₂	0.958
909.6	10.99	190.8	B₁	0.958
909	11	0	A₂	0.958
899.5	11.12	8.828	B₁	0.958
892.1	11.21	1.73	A₁	0.958
891.4	11.22	34.29	B₁	0.958
891.3	11.22	0	A₂	0.958
888	11.26	0	A₂	0.958
882.9	11.33	0.8838	A₁	0.958
875.8	11.42	0.3353	B₂	0.958
862.8	11.59	0.0994	B₁	0.958
862	11.6	0	A₂	0.958
850.8	11.75	6.868	B₂	0.958
848.3	11.79	0.0839	A₁	0.958
833.6	12	1.101	B₂	0.958
824.1	12.13	0.9707	A₁	0.958
813.5	12.29	1.7	B₁	0.958
800.5	12.49	0	A₂	0.958
796.9	12.55	27.57	B₁	0.958
794.4	12.59	1.754	B₂	0.958
791.2	12.64	0	A₂	0.958
785.1	12.74	0	A₂	0.958
784.2	12.75	12.92	B₁	0.958
779	12.84	8.891	A₁	0.958
776.7	12.88	0.0995	A₁	0.958
776.3	12.88	0.3989	B₁	0.958
775	12.9	0	A₂	0.958
769.2	13	0	B₁	0.958
764.8	13.08	0	A₂	0.958
763.3	13.1	0.1064	B₂	0.958
753.8	13.27	1.771	B₂	0.958
749.6	13.34	5.575	B₁	0.958
747.9	13.37	0	A₂	0.958
742	13.48	0	A₂	0.958
731.9	13.66	0.0351	A₁	0.958
726.7	13.76	0	A₂	0.958
718.1	13.93	0	A₂	0.958
710.2	14.08	0.0403	B₁	0.958
707.4	14.14	4.05	B₁	0.958
705	14.18	0	B₂	0.958
693.1	14.43	0.0503	A₁	0.958
688.7	14.52	0.0653	B₁	0.958
687.8	14.54	0	A₂	0.958
681.7	14.67	0.1067	B₂	0.958
679.1	14.73	0.925	B₁	0.958
670.1	14.92	0	A₂	0.958
657.7	15.21	0.9302	B₂	0.958
643.8	15.53	0.1523	A₁	0.958
642.3	15.57	0.3041	A₁	0.958
637.5	15.69	4.633	B₂	0.958
632.6	15.81	1.33	A₁	0.958
628.9	15.9	4.955	B₂	0.958
619.6	16.14	0.032	B₁	0.958
619	16.15	0	A₂	0.958
610.6	16.38	0	A₂	0.958
610.5	16.38	0.6823	A₁	0.958
604	16.56	0	A₂	0.958
604	16.56	13.47	B₁	0.958
597.3	16.74	0.0547	A₁	0.958
595.7	16.79	0	A₂	0.958
589.9	16.95	2.893	B₁	0.958
588.9	16.98	2.352	B₂	0.958
578.6	17.28	0.361	B₂	0.958
574.1	17.42	0.0066	A₁	0.958
570.8	17.52	0.0237	B₁	0.958
564	17.73	9.072	B₁	0.958
563.2	17.76	0	A₂	0.958
557	17.95	0	A₂	0.958
552.1	18.11	0.0077	B₁	0.958
552	18.12	3.585	B₂	0.958
530.1	18.86	13.6	B₂	0.958
529.8	18.87	0.354	A₁	0.958
521.3	19.18	0.0679	B₂	0.958
520	19.23	0.4121	A₁	0.958
517.1	19.34	0.2769	B₁	0.958
511	19.57	0	A₂	0.958
497.7	20.09	3.488	B₂	0.958
491.3	20.36	0.8096	A₁	0.958
476	21.01	3.086	B₂	0.958
464.5	21.53	14.39	B₂	0.958
455.6	21.95	0	A₂	0.958
443	22.57	0	A₂	0.958
441.5	22.65	0.5135	A₁	0.958
441.3	22.66	6.281	B₂	0.958
431.3	23.18	0.0049	B₁	0.958
421.6	23.72	0.5296	A₁	0.958
410.3	24.37	0.1166	B₁	0.958
408	24.51	2.172	B₂	0.958
406.1	24.62	0	A₂	0.958
397.9	25.13	0	A₂	0.958
397.4	25.16	2.643	B₁	0.958
390	25.64	0	A₂	0.958
367.8	27.19	1.25	B₂	0.958
365.5	27.36	0	A₂	0.958
365	27.4	0.662	B₁	0.958
352.9	28.34	0	A₂	0.958
351.2	28.47	0.0828	B₂	0.958
331.9	30.13	0.1656	A₁	0.958
324	30.87	0.739	B₁	0.958
315.7	31.67	0	A₂	0.958
313.6	31.89	2.77	A₁	0.958
312.4	32.01	0.0073	B₁	0.958
290.2	34.45	0.0105	A₁	0.958
276.2	36.2	0	A₂	0.958
273.2	36.6	0.4244	B₁	0.958
271.5	36.83	8.039	A₁	0.958
251.1	39.83	0.5327	B₁	0.958
247.6	40.38	0	A₂	0.958
246.5	40.57	0.7738	B₁	0.958
228.2	43.83	0.002	A₁	0.958
223.4	44.76	0.0488	B₂	0.958
220.5	45.36	1.401	B₁	0.958
213.1	46.92	4.253	B₂	0.958
182.4	54.84	0.4201	B₁	0.958
177	56.49	0	A₂	0.958
174.5	57.31	0	A₂	0.958
173.8	57.55	1.5	B₁	0.958
124.9	80.04	0	A₂	0.958
120.3	83.11	0	A₂	0.958
111.4	89.8	0.1629	B₁	0.958
98.88	101.1	0.062	B₁	0.958
76.29	131.1	0	A₂	0.958
61.93	161.5	0.0584	B₁	0.958
47.86	208.9	1.767	B₁	0.958
31.16	320.9	0.0092	B₁	0.958
29.84	335.2	0	A₂	0.958

Vibrations

Note(s):

C66H20 minus 2duo H end site

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