Species,name,4,5-dihydropyrene
,Image path,data:image/png;base64,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
,formula,C16H12
,phase,Gas
,configuration,
,purity,1.0

Category,Theoretical

Identity,version,2.1.1 
,Data provider,Giacomo Mulas (giacomo.mulas .at. inaf.it)
,laboratory,Osservatorio Astronomico di Cagliari, INAF / IRAP, CNRS
,date,2025-05-09
,Data handling,Louan de Bentzmann (IRAP)

Analysis,logicile,
,Date,2025-05-14

Reference/DOI,https://doi.org/10.48550/arXiv.2607.16018

Instruments,instr_name,AnharmoniCaOs
,instr_temp_min,0
,instr_temp_max,0
,instr_spect_min,9000
,instr_spect_max,0
,instr_spect_reso,0.01
,instr_date,
,instr_extra,Semiquartic force field from DFT calculations at B3LYP/N07D level,performed with Gaussian 16
,instr_add_Convolution (FWHM,cm⁻¹),5
,instr_add_Output file,data/instrufile/5_2/2/instr_add_Output fileMode_dihydropyrene_1
,Anharmonic method, Van Vleck GVPT
