NASA Ames PAH IR Spectroscopic Database

Transitions

Frequency [wavenumbers]	Wavelength [microns]	Integrated cross-section [km/mol]	Symmetry	Scaling factor
3083	3.243	22	A₁	0.958
3083	3.243	14.3	B₂	0.958
3080	3.247	7.982	A₁	0.958
3080	3.247	40.35	B₂	0.958
3079	3.248	71.81	A₁	0.958
3079	3.248	50.8	B₂	0.958
3078	3.249	10.89	A₁	0.958
3062	3.266	0.0049	A₁	0.958
3062	3.266	6.804	B₂	0.958
3062	3.266	0.1475	B₂	0.958
3061	3.267	3.826	A₁	0.958
3061	3.267	10.79	B₂	0.958
3059	3.269	3.48	A₁	0.958
3059	3.269	17.59	B₂	0.958
3058	3.27	13.63	A₁	0.958
3058	3.271	1.185	B₂	0.958
3057	3.272	1.686	A₁	0.958
3057	3.272	0.0053	B₂	0.958
2032	4.922	4.299	A₁	0.958
1604	6.236	23.07	A₁	0.958
1593	6.277	20.47	A₁	0.958
1592	6.283	4.437	B₂	0.958
1586	6.304	0.1441	B₂	0.958
1583	6.318	75.63	A₁	0.958
1581	6.323	9.727	B₂	0.958
1579	6.333	393.8	B₂	0.958
1576	6.344	17.5	A₁	0.958
1568	6.377	125.6	B₂	0.958
1566	6.385	3.879	A₁	0.958
1563	6.398	14.09	B₂	0.958
1549	6.454	0.2254	A₁	0.958
1545	6.473	0.3267	B₂	0.958
1534	6.52	12.68	B₂	0.958
1533	6.525	0.1416	A₁	0.958
1520	6.579	1.167	A₁	0.958
1509	6.627	88.14	B₂	0.958
1502	6.659	18.03	A₁	0.958
1485	6.732	0.0013	A₁	0.958
1482	6.749	56.83	B₂	0.958
1480	6.759	93.95	B₂	0.958
1479	6.759	8.057	A₁	0.958
1472	6.792	0.0001	B₂	0.958
1469	6.807	3.302	A₁	0.958
1466	6.82	5.047	B₂	0.958
1457	6.862	7.812	B₂	0.958
1450	6.895	6.432	A₁	0.958
1443	6.929	0.1353	A₁	0.958
1438	6.955	34.28	B₂	0.958
1434	6.975	0.0695	B₂	0.958
1434	6.975	9.254	A₁	0.958
1426	7.011	0.3002	B₂	0.958
1424	7.023	0.0912	A₁	0.958
1421	7.036	2.098	B₂	0.958
1413	7.076	15.12	A₁	0.958
1407	7.108	1.49	A₁	0.958
1404	7.121	1.999	B₂	0.958
1396	7.162	0.1303	B₂	0.958
1394	7.175	0.6166	A₁	0.958
1391	7.19	1.095	B₂	0.958
1387	7.211	0.9412	A₁	0.958
1384	7.228	5.074	A₁	0.958
1378	7.256	1.368	A₁	0.958
1376	7.265	25.54	B₂	0.958
1376	7.27	10.4	B₂	0.958
1370	7.298	0.8464	A₁	0.958
1369	7.305	3.398	B₂	0.958
1365	7.326	38.42	A₁	0.958
1361	7.35	1.257	A₁	0.958
1360	7.351	3.548	B₂	0.958
1349	7.413	112.2	B₂	0.958
1342	7.45	7.747	A₁	0.958
1341	7.456	6.81	A₁	0.958
1338	7.473	138.1	B₂	0.958
1334	7.498	79.36	A₁	0.958
1325	7.545	3.498	B₂	0.958
1319	7.583	12.76	A₁	0.958
1316	7.597	0.0053	A₁	0.958
1312	7.624	5.731	B₂	0.958
1297	7.708	261.1	A₁	0.958
1286	7.779	0.0912	A₁	0.958
1285	7.784	21.55	B₂	0.958
1280	7.812	5.653	B₂	0.958
1277	7.831	6.883	B₂	0.958
1274	7.851	144.3	A₁	0.958
1265	7.906	7.431	A₁	0.958
1261	7.931	27.54	B₂	0.958
1240	8.064	16.17	A₁	0.958
1223	8.175	1.263	B₂	0.958
1223	8.176	155.1	A₁	0.958
1219	8.202	26.4	B₂	0.958
1210	8.261	27.87	A₁	0.958
1205	8.3	0.8098	A₁	0.958
1198	8.344	66.58	B₂	0.958
1195	8.365	91.67	A₁	0.958
1189	8.413	0.0891	B₂	0.958
1180	8.473	11.99	A₁	0.958
1178	8.49	4.739	B₂	0.958
1173	8.522	10.94	A₁	0.958
1159	8.626	0.6402	B₂	0.958
1151	8.686	1.29	B₂	0.958
1149	8.706	1.213	A₁	0.958
1142	8.753	3.135	A₁	0.958
1135	8.81	1.661	B₂	0.958
1135	8.81	12.19	A₁	0.958
1101	9.084	2.172	A₁	0.958
1083	9.233	5.359	B₂	0.958
1082	9.244	8.614	A₁	0.958
1054	9.49	0.032	B₂	0.958
1039	9.627	0.9533	A₁	0.958
1025	9.756	0.1532	B₂	0.958
1013	9.868	0.1418	A₁	0.958
1004	9.961	0.0293	A₁	0.958
994.3	10.06	1.206	B₂	0.958
988.5	10.12	0	A₂	0.958
986.2	10.14	0.0592	B₁	0.958
986.1	10.14	0	A₂	0.958
985.2	10.15	0.0357	B₁	0.958
983.4	10.17	0	A₂	0.958
982.5	10.18	3.662	B₂	0.958
979.2	10.21	5.129	B₂	0.958
924	10.82	176.4	B₁	0.958
923.4	10.83	0	A₂	0.958
915.6	10.92	0.228	B₂	0.958
913.4	10.95	10.99	B₁	0.958
905	11.05	38.06	B₁	0.958
904.8	11.05	0	A₂	0.958
901.2	11.1	0	A₂	0.958
891.2	11.22	1.514	A₁	0.958
881.7	11.34	16.62	A₁	0.958
877	11.4	0.0365	B₂	0.958
875.7	11.42	0.0783	B₁	0.958
874.8	11.43	0	A₂	0.958
851.6	11.74	1.212	B₂	0.958
848.2	11.79	0.1341	A₁	0.958
833.8	11.99	0.812	B₂	0.958
823.6	12.14	7.341	A₁	0.958
820.8	12.18	4.06	B₁	0.958
809.6	12.35	0	A₂	0.958
806.4	12.4	27.68	B₁	0.958
801.9	12.47	0	A₂	0.958
793.4	12.6	0.4105	B₂	0.958
792.3	12.62	20.38	B₁	0.958
781.2	12.8	0	A₂	0.958
779.4	12.83	0.6564	A₁	0.958
778.6	12.84	5.613	A₁	0.958
773.5	12.93	0.2118	B₁	0.958
772.3	12.95	0	A₂	0.958
769.2	13	0.0044	B₁	0.958
763.7	13.09	0	A₂	0.958
763.7	13.09	0.2184	B₂	0.958
752.9	13.28	1.283	B₂	0.958
746.9	13.39	5.971	B₁	0.958
746.3	13.4	0	A₂	0.958
739.6	13.52	0	A₂	0.958
732.2	13.66	0.8506	A₁	0.958
724.4	13.81	0	A₂	0.958
719.1	13.91	0	A₂	0.958
709.5	14.09	0.12	B₁	0.958
706.7	14.15	5.17	B₁	0.958
703.9	14.21	0.005	B₂	0.958
692.6	14.44	0.0426	A₁	0.958
690	14.49	0.1274	B₁	0.958
688.6	14.52	0	A₂	0.958
681.6	14.67	0.0538	B₂	0.958
676.7	14.78	1.106	B₁	0.958
671.8	14.89	0	A₂	0.958
658.6	15.18	0.6996	B₂	0.958
643.6	15.54	0.2803	A₁	0.958
641.5	15.59	0.7584	A₁	0.958
638.9	15.65	1.861	B₂	0.958
633	15.8	1.195	A₁	0.958
628.2	15.92	2.102	B₂	0.958
620.7	16.11	0	A₂	0.958
620.5	16.12	0.2482	B₁	0.958
609.5	16.41	0.2947	A₁	0.958
606.3	16.49	0	A₂	0.958
605	16.53	16.68	B₁	0.958
603	16.58	0	A₂	0.958
597.7	16.73	0.9012	A₁	0.958
596	16.78	0	A₂	0.958
591	16.92	0.83	B₁	0.958
588.5	16.99	1.479	B₂	0.958
579	17.27	0.008	B₂	0.958
574.2	17.41	0.0148	A₁	0.958
571.7	17.49	0.0514	B₁	0.958
563.4	17.75	0	A₂	0.958
559.6	17.87	12.21	B₁	0.958
556.8	17.96	0	A₂	0.958
553.3	18.07	2.634	B₂	0.958
551.1	18.15	0.0351	B₁	0.958
531.6	18.81	7.696	B₂	0.958
529.5	18.88	0.4024	A₁	0.958
521.8	19.16	0.0001	B₂	0.958
520.5	19.21	0.5264	A₁	0.958
515.1	19.41	0	A₂	0.958
509.5	19.63	0.0089	B₁	0.958
498.6	20.05	3.173	B₂	0.958
490.6	20.38	2.555	A₁	0.958
476	21.01	0.5276	B₂	0.958
465.5	21.48	4.346	B₂	0.958
452.9	22.08	0	A₂	0.958
445.2	22.46	0	A₂	0.958
441.9	22.63	1.347	B₂	0.958
441	22.68	0.8964	A₁	0.958
429.4	23.29	0.0002	B₁	0.958
420.7	23.77	0.786	A₁	0.958
414.2	24.14	0.1803	B₁	0.958
408.4	24.49	0.7103	B₂	0.958
401.5	24.91	0	A₂	0.958
399.1	25.05	0	A₂	0.958
396.9	25.2	3.214	B₁	0.958
390.2	25.63	0	A₂	0.958
366.9	27.26	0.7436	B₂	0.958
363.9	27.48	0	A₂	0.958
363.9	27.48	0.7929	B₁	0.958
351	28.49	0.0983	B₂	0.958
350.3	28.54	0	A₂	0.958
332	30.12	0.1264	A₁	0.958
321.9	31.06	0.4595	B₁	0.958
313.5	31.9	0.0113	B₁	0.958
312.6	31.99	0.8353	A₁	0.958
312.2	32.03	0	A₂	0.958
290.6	34.41	0.013	A₁	0.958
274.3	36.46	0	A₂	0.958
273.8	36.52	0.5766	B₁	0.958
271.7	36.81	11.85	A₁	0.958
250.8	39.86	0.8334	B₁	0.958
247.9	40.34	0	A₂	0.958
245.7	40.7	1.882	B₁	0.958
228.1	43.85	0.0061	A₁	0.958
222	45.05	0.031	B₂	0.958
217.9	45.9	1.372	B₁	0.958
212.2	47.13	1.494	B₂	0.958
181.1	55.23	0.6038	B₁	0.958
177.8	56.24	0	A₂	0.958
173.3	57.7	0	A₂	0.958
172.6	57.94	1.673	B₁	0.958
124.6	80.27	0	A₂	0.958
118.7	84.22	0	A₂	0.958
111.4	89.79	0.0244	B₁	0.958
97.93	102.1	0.0889	B₁	0.958
76.48	130.8	0	A₂	0.958
62.23	160.7	0.0612	B₁	0.958
46.87	213.4	3.862	B₁	0.958
31.24	320.1	0.044	B₁	0.958
30.48	328	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