Spectroscopy Research important databases 

• For Basis set determination: https://bse.pnl.gov/bse/portal

• For spectrum search: http://sdbs.riodb.aist.go.jp/sdbs/cgi-bin/cre_index.cgi

• For chemspider search: http://www.chemspider.com/DatasourceDetails.aspx?id=308
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• For formula and property of molecule: http://webbook.nist.gov/chemistry/

Formula Name IUPAC identifier CAS registry number Reaction Author Structure

Ion energetics properties Vibrational and electronic energies Molecular weight

IR Pal website : http://www.freewarefiles.com/IRPal_program_39163.html
Molecular modeling software: http://www.fos.su.se/~aatto/theochem/software.html