NASA Ames PAH IR Spectroscopic Database

Transitions

Frequency [wavenumbers]	Wavelength [microns]	Integrated cross-section [km/mol]	Symmetry	Scaling factor
3119	3.206	0.1412	A	0.958
3119	3.206	1.241	B	0.958
3101	3.225	0.3719	B	0.958
3101	3.225	2.473	A	0.958
3098	3.228	1.524	A	0.958
3097	3.229	0.8988	B	0.958
3097	3.229	0.6321	A	0.958
3096	3.229	0.0152	B	0.958
3095	3.231	0.842	A	0.958
3095	3.231	0.2202	B	0.958
3094	3.232	0.3591	A	0.958
3094	3.232	1.033	B	0.958
3085	3.242	0.4277	A	0.958
3084	3.243	1.025	B	0.958
3082	3.245	0.1291	A	0.958
3081	3.246	1.625	A	0.958
3081	3.246	0.4248	B	0.958
3081	3.246	0.3732	B	0.958
3080	3.246	2.674	A	0.958
3080	3.247	0.0085	B	0.958
1601	6.246	20.77	A	0.958
1580	6.33	3.613	B	0.958
1571	6.367	16.39	A	0.958
1561	6.406	268.1	A	0.958
1552	6.445	313.8	A	0.958
1551	6.447	115.7	B	0.958
1545	6.471	50.26	A	0.958
1535	6.515	944.1	A	0.958
1529	6.541	49.84	B	0.958
1516	6.594	3.679	B	0.958
1514	6.603	1.073	B	0.958
1507	6.636	231.9	B	0.958
1499	6.671	22.52	A	0.958
1491	6.706	25.08	B	0.958
1490	6.713	8.43	A	0.958
1483	6.742	59.13	A	0.958
1475	6.779	37.68	B	0.958
1469	6.808	26.22	A	0.958
1468	6.814	82.5	B	0.958
1461	6.843	0.1237	A	0.958
1453	6.881	0.3373	B	0.958
1448	6.906	99.54	A	0.958
1436	6.962	16.94	A	0.958
1435	6.97	2.113	B	0.958
1428	7.004	5.822	B	0.958
1427	7.007	46.17	A	0.958
1416	7.061	5.144	A	0.958
1416	7.063	30.2	B	0.958
1403	7.129	47.44	A	0.958
1402	7.131	3.294	B	0.958
1385	7.221	28.21	B	0.958
1380	7.248	64.51	A	0.958
1377	7.263	13.92	B	0.958
1375	7.271	26.62	A	0.958
1372	7.291	23.63	A	0.958
1369	7.304	108.1	B	0.958
1358	7.363	659.3	A	0.958
1358	7.366	421.7	B	0.958
1347	7.425	36.41	A	0.958
1343	7.446	4.029	B	0.958
1335	7.489	428.7	A	0.958
1331	7.511	3.549	B	0.958
1317	7.591	5.026	A	0.958
1305	7.661	63.94	B	0.958
1300	7.694	29.91	B	0.958
1283	7.793	26.93	B	0.958
1277	7.828	509.7	A	0.958
1269	7.88	14.52	A	0.958
1245	8.03	58.51	A	0.958
1240	8.065	17.61	B	0.958
1237	8.086	10.24	A	0.958
1236	8.094	7.862	B	0.958
1231	8.121	15.33	B	0.958
1223	8.177	17.07	A	0.958
1222	8.181	1.907	B	0.958
1216	8.223	99.59	A	0.958
1201	8.325	0.186	B	0.958
1188	8.415	306.3	A	0.958
1187	8.428	57.47	B	0.958
1183	8.454	3.919	A	0.958
1167	8.568	0.8432	B	0.958
1165	8.587	5.692	A	0.958
1157	8.642	5.705	B	0.958
1155	8.66	2.068	A	0.958
1148	8.712	35.89	A	0.958
1147	8.722	9.194	B	0.958
1135	8.809	8.619	B	0.958
1107	9.037	198.2	B	0.958
1100	9.091	0.3116	A	0.958
1045	9.571	143.5	A	0.958
1035	9.663	1.059	B	0.958
1031	9.696	8.812	A	0.958
1015	9.852	0.4262	B	0.958
1015	9.856	0.0892	B	0.958
1007	9.932	0	A	0.958
1004	9.957	0	A	0.958
999.2	10.01	0.0853	B	0.958
994.7	10.05	0.8823	B	0.958
994.1	10.06	0.8797	A	0.958
987.4	10.13	0	A	0.958
987	10.13	0	A	0.958
986.1	10.14	11.51	B	0.958
976.6	10.24	12.19	B	0.958
936.3	10.68	1.534	B	0.958
918.8	10.88	107.6	B	0.958
917.9	10.9	0	A	0.958
907	11.03	104.2	B	0.958
904.7	11.05	0	A	0.958
902.2	11.08	0.8383	B	0.958
897.3	11.14	0.0511	A	0.958
881.8	11.34	22.05	B	0.958
878	11.39	82	B	0.958
852.7	11.73	0	A	0.958
851	11.75	0	A	0.958
823.4	12.14	1.882	B	0.958
809.1	12.36	8.624	B	0.958
797.8	12.53	0	A	0.958
797	12.55	30.8	A	0.958
794.8	12.58	1.582	B	0.958
794.8	12.58	0	A	0.958
794.6	12.58	4.186	A	0.958
786	12.72	2.696	A	0.958
777.6	12.86	49.25	B	0.958
773.6	12.93	4.692	B	0.958
772.7	12.94	0.4269	B	0.958
765.2	13.07	0.0027	B	0.958
764.2	13.09	0	B	0.958
756.5	13.22	0	A	0.958
745.9	13.41	2.1	B	0.958
741.9	13.48	0	A	0.958
732.5	13.65	16.49	A	0.958
731.5	13.67	0.9848	B	0.958
713.3	14.02	0.0832	B	0.958
708.8	14.11	2.09	A	0.958
688.5	14.53	0.5693	B	0.958
677.1	14.77	1.734	A	0.958
675.4	14.81	0.7187	B	0.958
672.3	14.87	0.1495	A	0.958
661.3	15.12	0	A	0.958
643.9	15.53	0	A	0.958
638	15.67	1.032	B	0.958
634.9	15.75	0.0889	B	0.958
632.3	15.82	0.6029	B	0.958
629.4	15.89	0	A	0.958
623.3	16.04	0.1429	B	0.958
619.9	16.13	1.34	A	0.958
603.3	16.57	10.57	A	0.958
585.6	17.08	0.2169	B	0.958
564.4	17.72	35.17	B	0.958
558.8	17.9	0.1478	B	0.958
543.8	18.39	1.219	A	0.958
534.5	18.71	0	A	0.958
532.2	18.79	0.3551	B	0.958
527.4	18.96	14.42	B	0.958
525.8	19.02	1.82	A	0.958
519.4	19.25	2.035	B	0.958
513.6	19.47	0	A	0.958
508.8	19.65	7.99	A	0.958
505.6	19.78	0	A	0.958
495.2	20.19	0.1137	B	0.958
472	21.19	16.5	A	0.958
465.2	21.5	0.0179	B	0.958
454.4	22.01	0	A	0.958
447.6	22.34	0.3305	B	0.958
440.7	22.69	0	A	0.958
439.6	22.75	4.732	B	0.958
430.2	23.24	0.1883	B	0.958
415.3	24.08	0.3089	A	0.958
406.3	24.61	0.7576	B	0.958
396	25.25	0.3362	A	0.958
376.6	26.55	6.801	A	0.958
373.3	26.78	0.0539	B	0.958
361.4	27.67	0.1693	?A	0.958
361.3	27.68	5.899	?A	0.958
346.8	28.84	8.852	B	0.958
331.5	30.17	0	A	0.958
305.5	32.73	0.3427	B	0.958
301.4	33.18	0	A	0.958
294.8	33.92	0.103	B	0.958
287	34.85	1.006	B	0.958
285.7	35	0	A	0.958
274.5	36.42	0	A	0.958
251.3	39.79	0.024	B	0.958
224.6	44.53	0.0118	B	0.958
218.1	45.85	0.0082	B	0.958
198.5	50.37	0	A	0.958
178.7	55.97	0.4349	A	0.958
174.7	57.24	0.0581	B	0.958
162.5	61.55	0	A	0.958
133.5	74.93	17.87	B	0.958
112.1	89.18	0.0516	B	0.958
104	96.19	0	A	0.958
95.73	104.5	4.967	B	0.958
93.04	107.5	0.1454	B	0.958
88.26	113.3	0	A	0.958
56.02	178.5	0.0862	B	0.958
23.01	434.7	1.611	B	0.958
21.18	472.1	0	A	0.958

Vibrations

Note(s):

C48H20+3

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