id  82622801
molid  0
isotopid  0
pressure  1
temperature  298.16
numpoints  108688
point_spacing  0.0602648041440099
start_freq  549.976759
end_freq  7099.977527
filename  AceticAcid_25T.sorted.TXT
comments  PNNL Spectra from Jeremy
chemical_symbol  CH3COOH
spectrum  82622802
id  82622801

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