NASA Ames PAH IR Spectroscopic Database

Transitions

Frequency [wavenumbers]	Wavelength [microns]	Integrated cross-section [km/mol]	Symmetry	Scaling factor
3051	3.277	0	A_G	0.958
3051	3.278	460.3	B_2U	0.958
3051	3.278	435.9	B_1U	0.958
3050	3.278	0	B_3G	0.958
3050	3.279	0	A_G	0.958
3050	3.279	38.87	B_2U	0.958
3036	3.294	0	A_G	0.958
3036	3.294	87.8	B_1U	0.958
3032	3.298	0	B_3G	0.958
3032	3.299	19.19	B_2U	0.958
3030	3.3	36.64	B_1U	0.958
3030	3.3	0	B_3G	0.958
3029	3.301	0	A_G	0.958
3029	3.301	123.9	B_2U	0.958
3027	3.304	0.6129	B_1U	0.958
3027	3.304	0	B_3G	0.958
3026	3.305	0	A_G	0.958
3025	3.305	3.158	B_2U	0.958
3025	3.306	1.554	B_1U	0.958
3025	3.306	0	B_3G	0.958
1606	6.225	0	A_G	0.958
1605	6.232	2.601	B_2U	0.958
1588	6.296	10.01	B_1U	0.958
1588	6.296	0	B_3G	0.958
1585	6.31	0	A_G	0.958
1583	6.317	0	B_3G	0.958
1580	6.33	85.85	B_1U	0.958
1577	6.341	226.6	B_2U	0.958
1571	6.363	0	A_G	0.958
1565	6.388	34.34	B_1U	0.958
1564	6.392	5.261	B_2U	0.958
1561	6.406	0	B_3G	0.958
1546	6.469	0	A_G	0.958
1543	6.482	0.741	B_1U	0.958
1527	6.548	0	A_G	0.958
1526	6.553	0	B_3G	0.958
1516	6.596	6.732	B_1U	0.958
1515	6.601	49.99	B_2U	0.958
1485	6.736	25.48	B_2U	0.958
1482	6.748	0	B_3G	0.958
1480	6.757	0	A_G	0.958
1478	6.764	12.41	B_1U	0.958
1474	6.783	0	B_3G	0.958
1469	6.809	0	A_G	0.958
1468	6.813	8.57	B_1U	0.958
1463	6.837	6.085	B_2U	0.958
1452	6.887	0	B_3G	0.958
1448	6.908	11.14	B_2U	0.958
1436	6.966	0	A_G	0.958
1434	6.973	0	B_3G	0.958
1431	6.989	56.75	B_1U	0.958
1426	7.013	0	B_3G	0.958
1424	7.02	17.24	B_2U	0.958
1423	7.029	1.547	B_1U	0.958
1422	7.033	0	A_G	0.958
1408	7.104	0.0803	B_1U	0.958
1404	7.123	12.9	B_2U	0.958
1404	7.124	0	B_3G	0.958
1401	7.138	0	A_G	0.958
1393	7.181	0	B_3G	0.958
1384	7.226	0	A_G	0.958
1383	7.228	12.16	B_2U	0.958
1379	7.253	12.2	B_1U	0.958
1376	7.269	129	B_2U	0.958
1375	7.271	0.1018	B_1U	0.958
1371	7.296	9.091	B_1U	0.958
1368	7.311	0	A_G	0.958
1366	7.32	0	A_G	0.958
1363	7.338	0	B_3G	0.958
1362	7.341	0.0032	B_2U	0.958
1359	7.357	4.287	B_2U	0.958
1353	7.388	0	B_3G	0.958
1352	7.394	0	A_G	0.958
1336	7.483	80.94	B_1U	0.958
1333	7.5	0	A_G	0.958
1332	7.509	0	B_3G	0.958
1327	7.534	101.3	B_2U	0.958
1321	7.571	0	B_3G	0.958
1313	7.618	6.584	B_2U	0.958
1309	7.641	191.6	B_1U	0.958
1306	7.655	0	A_G	0.958
1303	7.673	323.8	B_2U	0.958
1284	7.787	0	A_G	0.958
1282	7.802	0	B_3G	0.958
1277	7.833	40.27	B_1U	0.958
1274	7.848	0	B_3G	0.958
1270	7.876	0	A_G	0.958
1269	7.88	606.5	B_2U	0.958
1267	7.891	4.909	B_1U	0.958
1261	7.928	18.57	B_2U	0.958
1250	8	0	A_G	0.958
1224	8.17	0	B_3G	0.958
1215	8.234	4.906	B_1U	0.958
1206	8.292	14.75	B_2U	0.958
1198	8.347	0	A_G	0.958
1193	8.38	228.6	B_1U	0.958
1193	8.38	7.726	B_2U	0.958
1191	8.398	0	B_3G	0.958
1184	8.442	0	A_G	0.958
1169	8.557	0	A_G	0.958
1164	8.589	0	B_3G	0.958
1162	8.603	0.8728	B_2U	0.958
1160	8.618	3.449	B_1U	0.958
1150	8.699	0	B_3G	0.958
1144	8.74	1.579	B_2U	0.958
1140	8.771	0	A_G	0.958
1130	8.847	17.08	B_1U	0.958
1130	8.852	4.182	B_2U	0.958
1100	9.088	0	A_G	0.958
1078	9.274	0.985	B_1U	0.958
1078	9.274	0.0595	B_2U	0.958
1051	9.515	0	B_3G	0.958
1035	9.661	0	A_G	0.958
1027	9.733	0	B_3G	0.958
1012	9.883	0	A_G	0.958
1001	9.993	0.514	B_2U	0.958
996	10.04	4.755	B_1U	0.958
982.3	10.18	0	B_3G	0.958
976	10.25	4.563	B_1U	0.958
958	10.44	0	B_2G	0.958
957.8	10.44	0	A_U	0.958
953.5	10.49	0.0002	B_3U	0.958
952.9	10.49	0	B_1G	0.958
952.6	10.5	0	B_2G	0.958
952.1	10.5	0	A_U	0.958
910	10.99	6.03	B_1U	0.958
887.2	11.27	0	A_G	0.958
882	11.34	0.0294	B_2U	0.958
880.7	11.35	230.2	B_3U	0.958
879.2	11.37	0	B_1G	0.958
875.8	11.42	0	B_3G	0.958
872.8	11.46	0	B_2G	0.958
868.8	11.51	0	A_U	0.958
864.5	11.57	34.17	B_3U	0.958
862.4	11.6	0	B_2G	0.958
856.6	11.67	3.296	B_1U	0.958
847.6	11.8	0	A_G	0.958
838.8	11.92	0	B_3G	0.958
830	12.05	0	B_1G	0.958
827.9	12.08	0	A_U	0.958
826.9	12.09	0.1702	B_1U	0.958
823.1	12.15	3.275	B_2U	0.958
802.2	12.47	1.332	B_3U	0.958
793.2	12.61	0	B_1G	0.958
790	12.66	0	B_2G	0.958
782.2	12.78	0	B_3G	0.958
781.6	12.79	0	B_2G	0.958
778	12.85	0.8228	B_2U	0.958
775.8	12.89	0	A_G	0.958
775.8	12.89	32.06	B_3U	0.958
775.3	12.9	0	A_U	0.958
772.7	12.94	0	A_U	0.958
770.6	12.98	2.171	B_3U	0.958
768.8	13.01	0	B_1G	0.958
764.8	13.08	0	B_2G	0.958
763.5	13.1	0.007	B_1U	0.958
761.5	13.13	0	B_1G	0.958
753.8	13.27	0	A_U	0.958
747.6	13.38	6.474	B_3U	0.958
738.5	13.54	0	B_2G	0.958
731.2	13.68	0.8708	B_2U	0.958
730.8	13.68	0	B_2G	0.958
715.3	13.98	0	B_3G	0.958
714.7	13.99	0	A_U	0.958
706.4	14.16	0	B_1G	0.958
702.7	14.23	4.162	B_3U	0.958
693.3	14.42	0	A_G	0.958
688.9	14.52	0.4209	B_1U	0.958
687.8	14.54	0	B_2G	0.958
682.8	14.64	0	B_1G	0.958
681.9	14.66	0	B_3G	0.958
679.4	14.72	0	A_U	0.958
674.5	14.83	2.662	B_3U	0.958
655.2	15.26	0	B_3G	0.958
644.6	15.51	0	A_G	0.958
641	15.6	6.463	B_2U	0.958
634.7	15.76	0	A_G	0.958
632.8	15.8	13.85	B_1U	0.958
622.7	16.06	0	B_2G	0.958
617.3	16.2	5.295	B_2U	0.958
612.1	16.34	0	B_3G	0.958
608.3	16.44	0	B_2G	0.958
601.8	16.62	0	A_U	0.958
599.7	16.67	0	B_1G	0.958
599.7	16.67	0.2815	B_2U	0.958
598.6	16.7	14.23	B_3U	0.958
597.6	16.73	0	A_U	0.958
583.8	17.13	0.0587	B_3U	0.958
579.4	17.26	0.157	B_1U	0.958
573.4	17.44	0	A_G	0.958
570.4	17.53	0	B_2G	0.958
567.1	17.63	0	B_3G	0.958
564.7	17.71	0	B_1G	0.958
562.8	17.77	7.041	B_3U	0.958
555.6	18	0	B_2G	0.958
550.2	18.18	0	B_1G	0.958
547.5	18.27	0.3415	B_1U	0.958
541.3	18.48	0	A_U	0.958
530.4	18.85	0	A_G	0.958
519	19.27	0.6786	B_2U	0.958
517.7	19.32	0.0277	B_1U	0.958
510	19.61	0.9355	B_3U	0.958
507.9	19.69	0	B_3G	0.958
489.3	20.44	12.51	B_2U	0.958
480.9	20.8	6.075	B_1U	0.958
474.2	21.09	0	B_3G	0.958
457	21.88	0	B_2G	0.958
451.6	22.15	0	A_U	0.958
440.4	22.71	0.3395	B_2U	0.958
439.5	22.76	0.4905	B_1U	0.958
426.2	23.46	0	B_1G	0.958
419.8	23.82	0	A_G	0.958
411.4	24.31	0	B_3G	0.958
406.3	24.61	0	B_2G	0.958
398.1	25.12	1.715	B_3U	0.958
396	25.25	0	B_1G	0.958
393.7	25.4	0	A_U	0.958
385.8	25.92	0	A_U	0.958
366.6	27.28	1.933	B_3U	0.958
363.9	27.48	0	B_2G	0.958
358.3	27.91	0	B_3G	0.958
350	28.57	3.13	B_1U	0.958
348.2	28.72	0	A_U	0.958
331.1	30.21	0	A_G	0.958
319.9	31.26	0	B_2G	0.958
316.8	31.56	0.003	B_3U	0.958
313.9	31.86	0.0291	B_2U	0.958
310.8	32.18	0	B_1G	0.958
290.4	34.43	0	A_G	0.958
278.8	35.86	0	B_2G	0.958
271.1	36.88	10.48	B_2U	0.958
261.8	38.19	0	B_1G	0.958
248.3	40.28	0.1254	B_3U	0.958
247.3	40.44	0	B_1G	0.958
246.5	40.58	0	A_U	0.958
227	44.05	0	A_G	0.958
222.6	44.93	0	B_3G	0.958
221.5	45.14	1.443	B_3U	0.958
209.8	47.66	21.82	B_1U	0.958
178.6	55.99	0	B_2G	0.958
175.5	56.98	2.899	B_3U	0.958
174.7	57.24	0	B_1G	0.958
174.1	57.43	0	A_U	0.958
125.9	79.41	0	A_U	0.958
120.9	82.71	0	B_2G	0.958
111.1	90	0.0035	B_3U	0.958
98.59	101.4	0	B_1G	0.958
77.97	128.3	0	B_2G	0.958
62.8	159.2	0	B_1G	0.958
48.57	205.9	0.5012	B_3U	0.958
32.79	305	0.0948	B_3U	0.958
30.8	324.7	0	A_U	0.958

Vibrations

Note(s):

C66h20

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