Ice chemistry that can be unveiled with the JWST: SynthIceSpec, a synthetic spectrum generator to test spectral limits - Solid CO2 as a dust thermometer and solid CH3CN detectability in cold cores

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Table A.2

Gaussian parameters used in SynthIceSpec

Molecule	Position (cm⁻¹)	Position (μm)	FWHM (cm⁻¹)	Gaussian intensity (cm/molecule)	Mode	Reference
OCN⁻	2175.0	4.6	20.0	1.3E-16	C-N stretch	McClure et al. (2023)
${NH}_{4}^{+}$ $Mathematical equation: ${\rm{NH}}_{\rm{4}}^{\rm{ + }}$$	1459.0	6.8	64.0	4.4E-17	N-H stretch	Schutte & Khanna (2003)
CH₃CN	3002	3.3	18.1	1.50E-18	CH₃ stretch	Rachid et al. (2022)
CH₃CN	2942	3.4	9.4	0.53E-18	CH₃ stretch	Rachid et al. (2022)
CH₃CN	2289	4.3	16.4	0.60E-18	Combination	Rachid et al. (2022)
CH₃CN	2252	4.4	7.0	1.90E-18	C-N stretch	Rachid et al. (2022)
CH₃CN	1449	6.9	18.8	2.90E-18	Combination	Rachid et al. (2022)
CH₃CN	1411	7.1	14.1	1.90E-18	CH₃ deformation	Rachid et al. (2022)
CH₃CN	1374	7.3	16.4	1.20E-18	CH₃ deformation	Rachid et al. (2022)
CH₃CN	1042	9.6	18.8	1.60E-18	CH₃ rock	Rachid et al. (2022)
CH₃CN	920	10.9	7.0	0.35E-18	C-C stretch	Rachid et al. (2022)
HCOOCH₃	1722.0	5.8	28.2	4.9E-17	C=O stretch	Terwisscha van Scheltinga et al. (2021)
HCOOCH₃	1215.0	8.2	23.5	2.9E-17	C-O stretch	Terwisscha van Scheltinga et al. (2021)
HCOOCH₃	1163.0	8.5	25.8	1.9E-17	CH₃ rock	Terwisscha van Scheltinga et al. (2021)
HCOOCH₃	910.7	10.9	16.4	4.8E-18	O-CH₃ stretch	Terwisscha van Scheltinga et al. (2021)
HCOOCH₃	768.3	13.0	7	1.2E-18	deformation	Terwisscha van Scheltinga et al. (2021)

Notes. Follow-up to Table A.1.

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