return to home page Computational Chemistry Comparison and Benchmark DataBase Release 20 (August 2019) Standard Reference Database 101 National Institute of Standards and Technology
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Recently added molecules

2HPyran AlCl B5H9 bcp C13H10 C2H2Br4
C6H4Cl2 CBr2ClF CBrCl2F CH2COH+ CH3C(OH)=NH CH3CHO+
CH3CSNH2 CH3NCO CHBr2F CHCl2CCH CHClCCHCl CHF2CH2F
CHSNH2 ClFH+ COH H2COCH2+ H2I+ hexatetraene
HNC+ HSCH2SH HSO+ N3P3 NH2CNH+ NH2OH+
NH2OH2+ NH3CN+ NH3OH+ NH4Cl NHCl2 NHF2
OHCH2CN PH4 quadricyclane SCSe SiBr+ SiGe
SiH2D2 SiSe SOH+