NASA Ames PAH IR Spectroscopic Database

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C₁₃

uid	2358
scaling factor	multiple (2)

Transitions — Left-clk & drag: Zoom; Right-clk: reset

Transitions

Frequency [wavenumbers]	Wavelength [microns]	Integrated cross-section [km/mol]	Symmetry	Scaling factor
1556	6.426	68.27	E'	0.9523
1556	6.426	68.26	E'	0.9523
1509	6.627	0	A₂'	0.9523
1434	6.974	0	A₁'	0.9523
1433	6.98	38.71	E'	0.9523
1433	6.98	38.72	E'	0.9523
1255	7.971	0	A₂'	0.9523
1223	8.178	2.747	E'	0.9523
1223	8.178	2.746	E'	0.9523
1144	8.738	12.22	E'	0.9523
1144	8.738	12.22	E'	0.9523
1134	8.821	0	A₁'	0.9523
893.8	11.19	207.2	E'	0.9563
893.8	11.19	207.2	E'	0.9563
778.9	12.84	3.462	A₂"	0.9563
659.9	15.15	0	A₁'	0.9563
593	16.86	0	E"	0.9563
593	16.86	0	E"	0.9563
583.6	17.14	0	A₁'	0.9563
517.4	19.33	17.26	E'	0.9563
517.4	19.33	17.26	E'	0.9563
455.1	21.97	0.1382	A₂"	0.9563
434.9	23	0	A₂'	0.9563
406.7	24.59	0	A₁"	0.9563
398.3	25.11	326.1	E'	0.9563
398.3	25.11	326.1	E'	0.9563
279.3	35.81	0	E"	0.9563
279.3	35.81	0	E"	0.9563
220.6	45.33	363.8	E'	0.9563
220.6	45.33	363.9	E'	0.9563
187	53.49	0.2809	A₂"	0.9563
186.4	53.64	0	E"	0.9563
186.4	53.64	0	E"	0.9563

Note(s):

# becke3lyp/4-31G opt=tight freq int=grid=ultrafine
# iop(5/13=1,5/22 1012,5/37=1) scf=novaracc

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

C.W. Bauschlicher, Jr., A. Ricca, C. Boersma, L.J. Allamandola, "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
C. Boersma, C.W. Bauschlicher, Jr., A. Ricca, A.L. Mattioda, J. Cami, E. Peeters, F. Sánchez de Armas, G. Puerta Saborido, D.M. Hudgins, and L.J. Allamandola, "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