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Detection of the Polycyclic Aromatic Hydrocarbon Phenalene (C$_{13}$H$_{10}$) in the Very Low Luminosity Object (VeLLO) MC27/L1521F

T0 review · 2 major / 5 minor · reviewed 2026-07-10 · glm-5.2

Pith's one-line read Three-ring PAH phenalene detected in a star-forming core for the first time

desk verdict First three-ring PAH detected outside TMC-1; detection significance and column density depend on a narrow borrowed T_ex prior read the letter →

arxiv 2607.08699 v1 pith:XVQI2Q46 submitted 2026-07-09 astro-ph.GA astro-ph.SRphysics.chem-phphysics.space-ph

classification astro-ph.GAastro-ph.SRphysics.chem-phphysics.space-ph
keywords aromaticdetectionformationl1521fmc27pahsphenalenecloud
verification ladder T0 review T1 audit T2 compute T3 formal

The pith

A machine-rendered reading of the paper's core claim, the machinery that carries it, and where it could break.

The reading

Astronomers have detected phenalene, a three-ring polycyclic aromatic hydrocarbon (PAH), in the dense molecular cloud core MC27/L1521F — a region in Taurus that hosts a very-low-luminosity protostar. This is the first time a PAH of this size has been found outside the well-studied starless core TMC-1 CP, and it places a substantial carbon-bearing molecule in a cloud that is actively transitioning from prestellar to protostellar conditions. The detection was made by stacking many faint rotational emission lines observed with the Green Bank Telescope; no single line rises above the noise, but together they produce a 6.1-sigma signal. The column density of phenalene in MC27/L1521F is comparable to that in TMC-1 CP, but relative to the single-ring aromatic benzonitrile, phenalene is about four times more abundant in the star-forming core. This ratio difference suggests that either phenalene is more robust under the elevated ultraviolet radiation from the nascent protostar, or that chemical conditions in the denser, more evolved core preferentially alter the balance between these two aromatic species. The result supports the idea that PAHs are widespread in the cold interstellar medium and persist into the earliest phases of star formation, where they constitute a ready carbon reservoir for forming stars and planets.

What carries the argument

The detection rests on a matched-filter and velocity-stacking technique: the authors simulate the expected rotational spectrum of phenalene under assumed physical conditions (excitation temperature, source size, linewidth), extract spectral windows around each predicted line from the observed data, shift them to a common velocity frame, and sum them. The summed signal is then cross-correlated against the simulated template to produce a matched-filter response. The physical parameters feeding the simulation are not fit independently for phenalene in MC27/L1521F but are instead borrowed from a separate Markov Chain Monte Carlo analysis of benzonitrile in the same source, which is detectable in

What would settle it

A future observation at higher sensitivity that resolves individual phenalene lines would directly test whether the stacked signal is real and whether the assumed excitation temperature and source size are correct. If individual lines are not recovered at the predicted intensities, or if a different excitation temperature yields a poor match, the detection significance and column density could shift.

Watch

Extended reading notes

Core claim

The paper's central result is the detection of phenalene (C13H10) in MC27/L1521F at a column density of roughly 1.5 x 10^13 cm^-2, established through velocity-stacked rotational emission lines at 6.1-sigma significance. The key comparative finding is that the phenalene-to-benzonitrile ratio is approximately 40 in this source versus approximately 9 in TMC-1 CP — a factor-of-four enhancement that points to divergent formation or destruction chemistry between a starless core and a core hosting a nascent protostar. No individual phenalene lines are detected above the noise floor; the signal emerges only when many lines are combined using simulated relative intensities parameterized by excision-

Load-bearing premise

The detection assumes that the excitation temperature and source size derived from benzonitrile — a different, smaller molecule — apply to phenalene. Individual phenalene lines are not detected above the noise; the signal appears only after stacking many lines using simulated relative intensities parameterized by those borrowed conditions. If the true excitation environment of phenalene differs from that of benzonitrile, the stacked line ratios would be distorted, potentially

Editorial extensions

If this is right

  • PAHs of three or more rings are not confined to a single exceptional source but are present in other cold dense clouds, including those undergoing protostellar collapse.
  • The factor-of-four phenalene-to-benzonitrile ratio difference between a starless core and a protostellar core provides a measurable chemical diagnostic for how aromatic carbon reservoirs respond to the onset of star formation.
  • If phenalene is more photostable than benzonitrile under protostellar UV fields, the relative abundances of bare PAHs versus CN-substituted aromatics could serve as a radiation-field probe in embedded sources.
  • The predicted barrierless formation of cyanophenalene isomers from CN + phenalene provides specific, testable targets for future laboratory spectroscopy and astronomical searches.
  • Carbon locked in PAHs is available at the earliest stages of star formation, meaning it can be incorporated into protoplanetary disks and potentially into forming planets.
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Editorial analysis

A structured set of objections, weighed in public.

Desk editor's note, referee report, and a circularity audit.

Referee Report

2 major / 5 minor

Summary. This manuscript reports the detection of the three-ring PAH phenalene (C13H10) toward the VeLLO MC27/L1521F using GBT/ARKHAM data, representing the first detection of a three-ring PAH outside TMC-1 CP. The detection is achieved via velocity-stacking and matched-filter analysis at 6.1 sigma significance, with individual lines below the noise floor. The authors derive a column density of 1.47e13 cm^-2 and find a phenalene/benzonitrile ratio roughly four times higher than in TMC-1 CP. The paper also presents ab initio calculations for CN + phenalene reaction pathways and discusses possible formation/destruction scenarios. The detection methodology follows established GOTHAM-team procedures, and the use of publicly available laboratory spectroscopy from CDMS grounds the analysis in independent data.

Significance. The detection of a three-ring bare PAH outside TMC-1 CP is a meaningful result for the field, directly addressing whether PAHs are widespread in the cold ISM or unique to TMC-1. The comparison between TMC-1 CP and MC27/L1521F provides an early observational probe of PAH survival during the prestellar-to-protostellar transition. The ab initio characterization of CN + phenalene reaction pathways (Appendix C) and the resulting falsifiable predictions for cyanophenalene column densities are a concrete strength, as is the use of the publicly available GOTHAM Spectral Pipeline and molsim software for reproducibility.

major comments (2)
  1. Section 3, Table A1: The MCMC analysis for phenalene in MC27/L1521F uses a Gaussian prior on T_ex of N(4.91, 0.10) K, transferred from the benzonitrile fit. This prior is extremely narrow, effectively fixing T_ex rather than allowing it to be constrained by phenalene's own (undetected) lines. Since individual phenalene lines are not detected above the noise, both the 6.1 sigma matched-filter significance and the derived column density depend on the velocity-stacking template parameterized by this T_ex. In TMC-1 CP, where the T_ex prior was uniform U{3, 15} K, the posterior gave T_ex = 9.91 K for phenalene. While different sources can have different temperatures, the MC27 value is essentially imposed by the prior. The authors should demonstrate the sensitivity of the detection significance and column density to the assumed T_ex by running the matched-filter and MCMC analyses with a wider,
  2. Section 3: The four-fold enhancement claim (phenalene/benzonitrile ~40 vs ~9) depends on the phenalene column density, which is directly tied to the assumed T_ex through the partition function. The manuscript notes that the H2 column density for MC27/L1521F has considerable uncertainty, which propagates into the absolute abundances shown in Figure 2. A joint discussion of how the T_ex prior and H2 column density uncertainties propagate into the four-fold enhancement ratio would strengthen the analysis.
minor comments (5)
  1. Section 4: The discussion of photostability differences between phenalene and benzonitrile is qualitative. The authors note that absolute interstellar photodissociation rates have not been reported, but it would help to state explicitly whether the direction of the effect (phenalene more or less stable than benzonitrile under FUV) is currently unconstrained or whether theoretical expectations favor one direction.
  2. Figure 2: The H2 column density for MC27/L1521F is noted to have considerable uncertainty. A brief note on how Figure 2 would change under the alternative (higher) H2 column density scenario mentioned in Section 4 would help the reader gauge the robustness of the abundance comparison.
  3. Section 4, last paragraph: The predicted cyanophenalene column densities (Appendix C) are a useful falsifiable prediction. Stating explicitly whether current GOTHAM/QUIJOTE sensitivity could detect these would help readers assess the testability of this prediction.
  4. Table A3: The second velocity component for phenalene in MC27/L1521F has a column density consistent with zero (0.03 +0.34/-0.03 x 10^13 cm^-2). A brief comment on whether a single-component fit would suffice, or whether the two-component structure is physically motivated by the benzonitrile fit, would clarify the analysis.
  5. Appendix C.1: The level of theory (CCSD(T)-F12/cc-pVDZ-F12//wB97M-D4/ma-def2-TZVPP) is appropriate, but the manuscript should briefly note the expected uncertainty on the submerged barrier heights (e.g., +/-5-10 kJ/mol typical for this level) to contextualize the claim that all channels are 'deeply submerged'.

Circularity Check

0 steps flagged · score 2.0 of 10

No significant circularity; central detection is observational, grounded in external lab spectroscopy and independent telescope data

full rationale

The paper's central claim — detection of phenalene in MC27/L1521F — is an observational result, not a derivation that reduces to its own inputs. The spectroscopic constants come from the CDMS catalog (Cabezas et al. 2025, an independent group), and the observational data come from the GBT ARKHAM survey. The MCMC analysis uses a T_ex prior informed by the benzonitrile fit in the same source (N(4.91, 0.10) K), but this is a methodological choice for analyzing weak, individually-undetected lines — not a circular derivation. The column density of phenalene is a free parameter (uniform prior U{10, 15} in log10) constrained by the stacked observational data, not defined in terms of the benzonitrile column density. The phenalene/benzonitrile ratio comparison is computed from independently-derived column densities in two sources. The proxy-method predictions in Appendix C (cyanophenalene abundances) do rely on self-cited modeling from Wenzel et al. 2025a,b, but these are clearly labeled preliminary predictions awaiting laboratory confirmation, not the paper's central claim. The narrow T_ex prior is a robustness concern (correctness risk), not circularity: the column density is still derived from the data, not forced to equal the benzonitrile column density or any fitted input by construction. Score 2 reflects the minor self-citation load in the Appendix C predictions, which is not load-bearing for the main detection claim.

Assumptions & free parameters 4 free parameters · 3 assumptions · 0 invented entities

No new physical entities or forces are introduced. The free parameters are standard astrochemical modeling quantities (column densities, excitation temperatures, source sizes) fitted to observational data. The key axioms concern the transferability of excitation conditions between molecules and the reliability of the stacking methodology.

free parameters (4)
  • Excitation temperature (MC27/L1521F) = 4.91 K
    Derived from MCMC analysis of benzonitrile and applied to phenalene; not independently measured for phenalene.
  • Source size (MC27/L1521F) = 400 arcsec (fixed)
    Fixed at 400 arcsec based on benzonitrile analysis rather than independently constrained for phenalene.
  • Column density (phenalene, MC27/L1521F) = 1.47e13 cm^-2
    Fitted via MCMC using the benzonitrile-informed priors.
  • H2 column density (MC27/L1521F) = 1.68e10 cm^-2
    Adopted from Chitsazzadeh (2014); authors note this may be uncertain, affecting absolute abundances.
assumptions (3)
  • domain assumption Laboratory rotational spectroscopy of phenalene (Cabezas et al. 2025, CDMS catalog) correctly predicts transition frequencies and intensities under interstellar conditions.
    The entire detection rests on the accuracy of the CDMS catalog entries for phenalene.
  • domain assumption Excitation conditions (T_ex, source size, linewidth) derived from benzonitrile are applicable to phenalene in the same source.
    Section 3 states priors for phenalene MCMC were informed by the benzonitrile detection in MC27/L1521F.
  • domain assumption The matched filter and velocity-stack methodology (Loomis et al. 2021) reliably distinguishes real molecular signals from noise at the stated significance levels.
    Individual phenalene lines are not detected above noise; the detection relies entirely on this stacking methodology.

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Cite this review

Pith. "Pith review of Detection of the Polycyclic Aromatic Hydrocarbon Phenalene (C$_{13}$H$_{10}$) in the Very Low Luminosity Object (VeLLO) MC27/L1521F." pith.science (2026). https://pith.science/paper/XVQI2Q46

@misc{pith2026260708699,
  author       = {Pith},
  title        = {Pith review of: Detection of the Polycyclic Aromatic Hydrocarbon Phenalene (C$_13$H$_10$) in the Very Low Luminosity Object (VeLLO) MC27/L1521F},
  year         = {2026},
  howpublished = {\url{https://pith.science/paper/XVQI2Q46}},
  note         = {Machine review of arXiv:2607.08699}
}
abstract

To date, 14 polycyclic aromatic hydrocarbons (PAHs) ranging in size from two to seven (including five- and six-membered) carbon rings have been detected in the starless dense core TMC-1 CP within the Taurus molecular cloud. Their detection raises questions about the distribution of PAHs in the cold interstellar medium (ISM) and their evolution during star formation. Here, we present the first interstellar detection of a three-ring PAH outside of TMC-1 CP. We detect phenalene (C$_{13}$H$_{10}$), a compact, peri-fused PAH, in the dense core MC27/L1521F, a molecular cloud in Taurus containing a very low-luminosity object (VeLLO). We compare the abundances of phenalene in the two sources with respect to the single-ring aromatic benzonitrile, and find that it is enhanced by a factor of four in MC27/L1521F. We discuss the implications for possible formation and destruction pathways in the two sources. These findings further support the widespread abundance of PAHs throughout the cold ISM and are consistent with survival, inheritance, or replenishment during the earliest stages of star formation.

Figures

Figures reproduced from arXiv: 2607.08699 by the authors.

Figure 1
Figure 1. (Left) Structure of 1H-phenalene (C13H10). (Center) Velocity-stacked spectra and (right) matched filter response of phenalene emission in the ARKHAM data toward MC27/L1521F generated using the methodologies outlined in R. A. Loomis et al. (2021). servations conducted with the 40 m Yebes radio tele￾scope toward TMC-1 CP. Simulating the radio emis￾sion of phenalene under TMC-1 CP conditions (see Ta￾bles A1 and A2) and… view at source ↗
Figure 2
Figure 2. Abundance of detected (polycyclic) aromatic hydrocarbons ((P)AHs) in TMC-1 CP (blue and black hexagons) and in MC27/L1521F (magenta stars) with re￾spect to the molecular hydrogen abundance in each source and as a function of number of carbon atoms per molecule, NC. Dashed horizontal lines are the propagated benzoni￾trile abundances to guide the eye. The area shaded in grey highlights the high abundance of phenalene … view at source ↗

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Works this paper leans on

85 extracted references · 85 canonical work pages

  1. [1]

    B., Knizia, G., & Werner, H.-J

    Adler, T. B., Knizia, G., & Werner, H.-J. 2007, The Journal of Chemical Physics, 127, 221106, doi: 10.1063/1.2817618 Ag´ undez, M., & Cernicharo, J. 2026, ACS Earth and Space Chemistry, doi: 10.1021/acsearthspacechem.6c00026 Ag´ undez, M., Marcelino, N., Tercero, B., & Cernicharo, J. 2023, Astronomy & Astrophysics, 677, L13, doi: 10.1051/0004-6361/202347524

  2. [2]

    J., Tielens, A

    Allamandola, L. J., Tielens, A. G. G. M., & Barker, J. R. 1985, The Astrophysical Journal, 290, L25, doi: 10.1086/184435

  3. [3]

    Bergin, E., Calvet, N., D’Alessio, P., & Herczeg, G. J. 2003, The Astrophysical Journal, 591, L159, doi: 10.1086/377148

  4. [4]

    L., Myers, P

    Bourke, T. L., Myers, P. C., Ii, N. J. E., et al. 2006, The Astrophysical Journal, 649, L37, doi: 10.1086/508161

  5. [5]

    N., Subramani, A., Liu, C., et al

    Bull, J. N., Subramani, A., Liu, C., et al. 2025, Physical Review Letters, 134, 228002, doi: 10.1103/PhysRevLett.134.228002

  6. [6]

    M., Loomis, R

    Burkhardt, A. M., Loomis, R. A., Shingledecker, C. N., et al. 2021a, Nature Astronomy, 5, 181, doi: 10.1038/s41550-020-01253-4 12 N N N Figure C5. A subset of the potential energy surface for the addition of CN to phenalene and subsequent H atom elimination channels at the CCSD(T)-F12/cc-pVDZ-F12//ωB97M-D4/ma-def2-TZVPP level of theory . Only pathways upo...

  7. [7]

    M., Lee, K

    Burkhardt, A. M., Lee, K. L. K., Changala, P. B., et al. 2021b, The Astrophysical Journal Letters, 913, L18, doi: 10.3847/2041-8213/abfd3a

  8. [8]

    2025, Astronomy & Astrophysics, 701, L8, doi: 10.1051/0004-6361/202556687

    Cabezas, C., Ag´ undez, M., P´ erez, C., et al. 2025, Astronomy & Astrophysics, 701, L8, doi: 10.1051/0004-6361/202556687

Show all 85 references
  1. [9]

    2019, The Journal of Chemical Physics, 150, 154122, doi: 10.1063/1.5090222

    Caldeweyher, E., Ehlert, S., Hansen, A., et al. 2019, The Journal of Chemical Physics, 150, 154122, doi: 10.1063/1.5090222

  2. [10]

    2020, Physical Chemistry Chemical Physics, 22, 8499, doi: 10.1039/D0CP00502A

    Caldeweyher, E., Mewes, J.-M., Ehlert, S., & Grimme, S. 2020, Physical Chemistry Chemical Physics, 22, 8499, doi: 10.1039/D0CP00502A

  3. [11]

    2021a, Astronomy and astrophysics, 649, L15, doi: 10.1051/0004-6361/202141156

    Cernicharo, J., Ag´ undez, M., Cabezas, C., et al. 2021a, Astronomy and astrophysics, 649, L15, doi: 10.1051/0004-6361/202141156

  4. [12]

    I., et al

    Cernicharo, J., Ag´ undez, M., Kaiser, R. I., et al. 2021b, Astronomy & Astrophysics, 652, L9, doi: 10.1051/0004-6361/202141660

  5. [13]

    2024, Astronomy & Astrophysics, 690, L13, doi: 10.1051/0004-6361/202452196

    Cernicharo, J., Cabezas, C., Fuentetaja, R., et al. 2024, Astronomy & Astrophysics, 690, L13, doi: 10.1051/0004-6361/202452196

  6. [14]

    2026, Astronomy & Astrophysics, 705, L7, doi: 10.1051/0004-6361/202557893

    Cernicharo, J., Tercero, B., Marcelino, N., et al. 2026, Astronomy & Astrophysics, 705, L7, doi: 10.1051/0004-6361/202557893

  7. [15]

    2008, The Journal of Chemical Physics, 128, 084106, doi: 10.1063/1.2834918

    Chai, J.-D., & Head-Gordon, M. 2008, The Journal of Chemical Physics, 128, 084106, doi: 10.1063/1.2834918

  8. [16]

    2014, Ph.D

    Chitsazzadeh, S. 2014, Ph.D. thesis. https://ui.adsabs.harvard.edu/abs/2014PhDT.......423C

  9. [17]

    R., Gupta, D., Messinger, J

    Cooke, I. R., Gupta, D., Messinger, J. P., & Sims, I. R. 2020, The Astrophysical Journal Letters, 891, L41, doi: 10.3847/2041-8213/ab7a9c

  10. [18]

    M., et al

    Crapsi, A., Caselli, P., Walmsley, C. M., et al. 2004, Astronomy & Astrophysics, 420, 957, doi: 10.1051/0004-6361:20035915

  11. [19]

    Davidson, E. R. 1996, Chemical Physics Letters, 260, 514, doi: 10.1016/0009-2614(96)00917-7

  12. [20]

    B., Mendes, M., Rodrigues, R., et al

    Debes, D. B., Mendes, M., Rodrigues, R., et al. 2025, Astronomy & Astrophysics, 693, A304, doi: 10.1051/0004-6361/202449818

  13. [21]

    Dunning, Jr., T. H. 1989, The Journal of Chemical Physics, 90, 1007, doi: 10.1063/1.456153

  14. [22]

    P., Schlemmer, S., Schilke, P., Stutzki, J., & M¨ uller, H

    Endres, C. P., Schlemmer, S., Schilke, P., Stutzki, J., & M¨ uller, H. S. P. 2016, Journal of Molecular Spectroscopy, 327, 95, doi: 10.1016/j.jms.2016.03.005

  15. [23]

    2020, Astronomy & Astrophysics, 635, A189, doi: 10.1051/0004-6361/201937297 13 T able C5.Energetics of selected channels in the reaction of CN and phenalene

    Favre, C., Vastel, C., Jimenez-Serra, I., et al. 2020, Astronomy & Astrophysics, 635, A189, doi: 10.1051/0004-6361/201937297 13 T able C5.Energetics of selected channels in the reaction of CN and phenalene. DFT refers toωB97M-D4/ma-def2-TZVPP, zpe scaled harmonic zero point en...

  16. [24]

    W., Gardiner, W

    Frenklach, M., Clary, D. W., Gardiner, W. C., & Stein, S. E. 1985, Symposium (International) on Combustion, 20, 887, doi: 10.1016/S0082-0784(85)80578-6

  17. [25]

    W., & Mebel, A

    Frenklach, M., Jasper, A. W., & Mebel, A. M. 2024, Physical Chemistry Chemical Physics, doi: 10.1039/D4CP00096J

  18. [26]

    G., Caselli, P., et al

    Fuente, A., Navarro, D. G., Caselli, P., et al. 2019, Astronomy & Astrophysics, 624, A105, doi: 10.1051/0004-6361/201834654

  19. [27]

    Fuentetaja, R., Cabezas, C., Ag´ undez, M., et al. 2026, Astronomy & Astrophysics, 706, L10, doi: 10.1051/0004-6361/202558398 14 T able C6.Observed (obs) and predicted (pred) parent to child ratios (H/CN) for cyano functionalized indene and phenalene isomers in TMC-1 CP. Obser...

  20. [28]

    Georgievskii, Y., & Klippenstein, S. J. 2005, The Journal of Chemical Physics, 122, 194103, doi: 10.1063/1.1899603

  21. [29]

    D., Curtis, D

    Hanwell, M. D., Curtis, D. E., Lonie, D. C., et al. 2012, Journal of Cheminformatics, 4, 17, doi: 10.1186/1758-2946-4-17

  22. [30]

    2005, Physical Chemistry Chemical Physics, 7, 59, doi: 10.1039/B415208E

    Hattig, C. 2005, Physical Chemistry Chemical Physics, 7, 59, doi: 10.1039/B415208E

  23. [31]

    1977, The Journal of Chemical Physics, 66, 2153, doi: 10.1063/1.434152

    Ishida, K., Morokuma, K., & Komornicki, A. 1977, The Journal of Chemical Physics, 66, 2153, doi: 10.1063/1.434152

  24. [32]

    R., & Michelsen, H

    Wilson, K. R., & Michelsen, H. A. 2018, Science, 361, 997, doi: 10.1126/science.aat3417

  25. [33]

    Johnson, R. I. 2022, NIST computational chemistry comparison and benchmark database, http://cccbdb.nist.gov/

  26. [34]

    2023, Physical Chemistry Chemical Physics, 25, 29070, doi: 10.1039/D3CP03977C

    Kamer, J., Schleier, D., Donker, M., et al. 2023, Physical Chemistry Chemical Physics, 25, 29070, doi: 10.1039/D3CP03977C

  27. [35]

    2005, Astronomische Nachrichten, 326, 878, doi: https://doi.org/10.1002/asna.200510446

    Collaboration, T. 2005, Astronomische Nachrichten, 326, 878, doi: https://doi.org/10.1002/asna.200510446

  28. [36]

    A., Dunning, Jr., T

    Kendall, R. A., Dunning, Jr., T. H., & Harrison, R. J. 1992, The Journal of Chemical Physics, 96, 6796, doi: 10.1063/1.462569

  29. [37]

    K., Brauer, B., & Martin, J

    Kesharwani, M. K., Brauer, B., & Martin, J. M. L. 2014, The Journal of Physical Chemistry A, 119, 1701, doi: 10.1021/jp508422u

  30. [38]

    M., Ward-Thompson, D., Di Francesco, J., et al

    Kirk, J. M., Ward-Thompson, D., Di Francesco, J., et al. 2024, Monthly Notices of the Royal Astronomical Society, 532, 4661, doi: 10.1093/mnras/stae1633

  31. [39]

    B., & Werner, H.-J

    Knizia, G., Adler, T. B., & Werner, H.-J. 2009, The Journal of Chemical Physics, 130, 054104, doi: 10.1063/1.3054300

  32. [40]

    Lehtola, S., Steigemann, C., Oliveira, M. J. T., & Marques, M. A. L. 2018, SoftwareX, 7, 1, doi: 10.1016/j.softx.2017.11.002

  33. [41]

    D., Laws, B

    Levey, Z. D., Laws, B. A., Sundar, S. P., et al. 2022, The Journal of Physical Chemistry A, 126, 101, doi: 10.1021/acs.jpca.1c08310

  34. [42]

    G., Izs´ ak, R., Valeev, E

    Liakos, D. G., Izs´ ak, R., Valeev, E. F., & Neese, F. 2013, Molecular Physics, 111, 2653, doi: 10.1080/00268976.2013.824624

  35. [43]

    2024, NIST chemistry

    Linstrom, P., & Mallard, W. 2024, NIST chemistry

  36. [44]

    WebBook, NIST standard reference database number 69, https://doi.org/10.18434/T4D303

  37. [45]

    A., Shingledecker, C

    Loomis, R. A., Shingledecker, C. N., Langston, G., et al. 2016, Monthly Notices of the Royal Astronomical Society, 463, 4175, doi: 10.1093/mnras/stw2302

  38. [46]

    A., Burkhardt, A

    Loomis, R. A., Burkhardt, A. M., Shingledecker, C. N., et al. 2021, Nature Astronomy, 5, 188, doi: 10.1038/s41550-020-01261-4 L´ eger, A., & Puget, J. L. 1984, Astronomy & Astrophysics, 500, 279

  39. [47]

    2021, Astronomy & Astrophysics, 652, A42, doi: 10.1051/0004-6361/202140737

    Bonnamy, A. 2021, Astronomy & Astrophysics, 652, A42, doi: 10.1051/0004-6361/202140737

  40. [48]

    2016, The Journal of Chemical Physics, 144, 214110, doi: 10.1063/1.4952647

    Mardirossian, N., & Head-Gordon, M. 2016, The Journal of Chemical Physics, 144, 214110, doi: 10.1063/1.4952647

  41. [49]

    C., & McGuire, B

    McCarthy, M. C., & McGuire, B. A. 2026, doi: 10.1146/annurev-physchem-082324-010544

  42. [50]

    A., Burkhardt, A

    McGuire, B. A., Burkhardt, A. M., Kalenskii, S., et al. 2018, Science, 359, 202, doi: 10.1126/science.aao4890

  43. [51]

    Loomis, R. A. 2024, molsim, Zenodo, doi: 10.5281/zenodo.12697227

  44. [52]

    A., Burkhardt, A

    McGuire, B. A., Burkhardt, A. M., Loomis, R. A., et al. 2020, The Astrophysical Journal Letters, 900, L10, doi: 10.3847/2041-8213/aba632

  45. [53]

    A., Loomis, R

    McGuire, B. A., Loomis, R. A., Burkhardt, A. M., et al. 2021, Science, 371, 1265, doi: 10.1126/science.abb7535

  46. [54]

    2000, Chemical Physics Letters, 325, 93, doi: 10.1016/S0009-2614(00)00662-X 15

    Neese, F. 2000, Chemical Physics Letters, 325, 93, doi: 10.1016/S0009-2614(00)00662-X 15

  47. [55]

    2012, WIREs Computational Molecular Science, 2, 73, doi: 10.1002/wcms.81

    Neese, F. 2012, WIREs Computational Molecular Science, 2, 73, doi: 10.1002/wcms.81

  48. [56]

    2023, Journal of Computational Chemistry, 44, 381, doi: 10.1002/jcc.26942

    Neese, F. 2023, Journal of Computational Chemistry, 44, 381, doi: 10.1002/jcc.26942

  49. [57]

    2025, WIREs Computational Molecular Science, 15, doi: 10.1002/wcms.70019

    Neese, F. 2025, WIREs Computational Molecular Science, 15, doi: 10.1002/wcms.70019

  50. [58]

    2020, The Journal of Chemical Physics, 152, 224108, doi: 10.1063/5.0004608

    Neese, F., Wennmohs, F., Becker, U., & Riplinger, C. 2020, The Journal of Chemical Physics, 152, 224108, doi: 10.1063/5.0004608

  51. [59]

    2009, Chemical Physics, 356, 1, doi: 10.1016/j.chemphys.2008.10.012 O’Connor, G

    Noga, J., & Simunek, J. 2009, Chemical Physics, 356, 1, doi: 10.1016/j.chemphys.2008.10.012 O’Connor, G. D., Chan, B., Sanelli, J. A., et al. 2017, Chemical Science, 8, 1186, doi: 10.1039/C6SC03787A O’Connor, G. D., Troy, T. P., Roberts, D. A., et al. 2011, Journal of the Amer...

  52. [60]

    A., Adler, T

    Peterson, K. A., Adler, T. B., & Werner, H.-J. 2008, The Journal of Chemical Physics, 128, 084102, doi: 10.1063/1.2831537

  53. [61]

    P., Azyazov, V

    Porfiriev, D. P., Azyazov, V. N., & Mebel, A. M. 2020, Combustion and Flame, 213, 302, doi: 10.1016/j.combustflame.2019.11.038

  54. [62]

    B., Schrauwen, J

    Rap, D. B., Schrauwen, J. G. M., Redlich, B., & Br¨ unken, S. 2024, Physical Chemistry Chemical Physics, doi: 10.1039/D3CP05574D

  55. [63]

    2009, The Journal of Chemical Physics, 130, 054105, doi: 10.1063/1.3070236

    Rauhut, G., Knizia, G., & Werner, H.-J. 2009, The Journal of Chemical Physics, 130, 054105, doi: 10.1063/1.3070236

  56. [64]

    2022, Chemosphere, 291, 132793, doi: 10.1016/j.chemosphere.2021.132793

    Reizer, E., Viskolcz, B., & Fiser, B. 2022, Chemosphere, 291, 132793, doi: 10.1016/j.chemosphere.2021.132793

  57. [65]

    M., Andr´ es, D

    Rivilla, V. M., Andr´ es, D. S., Sanz-Novo, M., et al. 2026, Aromatic rings in the Central Molecular Zone: Benzonitrile, arXiv, doi: 10.48550/arXiv.2604.24510 Sch¨ oller, L., Spezzano, S., Sipil¨ a, O., et al. 2026, Tracing the sulfur depletion in starless and pre-stellar core...

  58. [66]

    L., Changala, P

    Sita, M. L., Changala, P. B., Xue, C., et al. 2022, The Astrophysical Journal Letters, 938, L12, doi: 10.3847/2041-8213/ac92f4

  59. [67]

    A., Speak, T

    Stewart, D. A., Speak, T. H., Yuan, E. Q. H., et al. 2025, The Journal of Physical Chemistry A, 129, 11400, doi: 10.1021/acs.jpca.5c05772

  60. [68]

    H., Bull, J

    Stockett, M. H., Bull, J. N., Cederquist, H., et al. 2023, Nature Communications, 14, 395, doi: 10.1038/s41467-023-36092-0

  61. [69]

    N., Cederquist, H., et al

    Subramani, A., Bull, J. N., Cederquist, H., et al. 2025, ACS Earth and Space Chemistry, doi: 10.1021/acsearthspacechem.5c00283

  62. [70]

    2026, The Astrophysical Journal Letters, 1001, L1, doi: 10.3847/2041-8213/ae47ec

    Tokuda, K., Omura, M., Harada, N., et al. 2026, The Astrophysical Journal Letters, 1001, L1, doi: 10.3847/2041-8213/ae47ec

  63. [71]

    Valeev, E. F. 2004, Chemical Physics Letters, 395, 190, doi: 10.1016/j.cplett.2004.07.061

  64. [72]

    2006, Physical Chemistry Chemical Physics, 8, 1057, doi: 10.1039/B515623H

    Weigend, F. 2006, Physical Chemistry Chemical Physics, 8, 1057, doi: 10.1039/B515623H

  65. [73]

    2005, Physical Chemistry Chemical Physics, 7, 3297, doi: 10.1039/B508541A

    Weigend, F., & Ahlrichs, R. 2005, Physical Chemistry Chemical Physics, 7, 3297, doi: 10.1039/B508541A

  66. [74]

    2002, The Journal of Chemical Physics, 116, 3175, doi: 10.1063/1.1445115

    Weigend, F., Kohn, A., & Hattig, C. 2002, The Journal of Chemical Physics, 116, 3175, doi: 10.1063/1.1445115

  67. [75]

    R., Changala, P

    Wenzel, G., Cooke, I. R., Changala, P. B., et al. 2024, Science, 386, 810, doi: 10.1126/science.adq6391

  68. [76]

    H., Changala, P

    Wenzel, G., Speak, T. H., Changala, P. B., et al. 2025a, Nature Astronomy, 9, 262, doi: 10.1038/s41550-024-02410-9

  69. [77]

    2025b, The Astrophysical Journal Letters, 984, L36, doi: 10.3847/2041-8213/adc911

    Wenzel, G., Gong, S., Xue, C., et al. 2025b, The Astrophysical Journal Letters, 984, L36, doi: 10.3847/2041-8213/adc911

  70. [78]

    A., Millar, T

    West, N. A., Millar, T. J., de Sande, M. V., et al. 2019, The Astrophysical Journal, 885, 134, doi: 10.3847/1538-4357/ab480e

  71. [79]

    Willis, R. H. J., Speak, T. H., Byrne, A. N., Shingledecker, C. N., & Cooke, I. R. 2026, arXiv preprint arXiv:2604.21892

  72. [80]

    2025, GOTHAM spectral pipeline, Zenodo, doi: 10.5281/zenodo.15678187

    Xue, C. 2025, GOTHAM spectral pipeline, Zenodo, doi: 10.5281/zenodo.15678187

  73. [81]

    N., Morgan, L., et al

    Xue, C., Byrne, A. N., Morgan, L., et al. 2025, The Astrophysical Journal Supplement Series, 281, 9, doi: 10.3847/1538-4365/ae04e5

  74. [82]

    J., Linsky, J

    Yang, H., Herczeg, G. J., Linsky, J. L., et al. 2011, The Astrophysical Journal, 744, 121, doi: 10.1088/0004-637X/744/2/121

  75. [83]

    I., Xu, B., et al

    Zhao, L., Kaiser, R. I., Xu, B., et al. 2018, Nature Astronomy, 2, 413, doi: 10.1038/s41550-018-0399-y

  76. [84]

    I., Lu, W., et al

    Zhao, L., Kaiser, R. I., Lu, W., et al. 2020, Physical Chemistry Chemical Physics, 22, 15381, doi: 10.1039/D0CP02216K

  77. [85]

    Zheng, J., Xu, X., & Truhlar, D. G. 2011, Theoretical Chemistry Accounts, 128, 295, doi: 10.1007/s00214-010-0846-z

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