return to home page Computational Chemistry Comparison and Benchmark DataBase Release 21 (August 2020) Standard Reference Database 101 National Institute of Standards and Technology
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Recently added molecules

2HPyran AlCl B5H9 bcp bebr2 C13H10
C2ClF3 C2H2Br4 C2H2N2S C2H3I C2H5I C3H2O3
C4F2 C4H4 C4H9F C4O4-- C5H5N C6H4Cl2
CaBr2 CBr2ClF CBrCl2F CF2Cl CF2O+ CF3CCl3
CFCl2 CH(CN)3 CH2BrCH2Cl CH2BrI CH2Cl CH2COH+
ch2cs CH2F+ ch2fi CH2FOH CH2I2 CH2NH+
CH3C(OH)=NH CH3CHO+ CH3CSNH2 CH3F+ CH3NCO CHBr2
CHBr2F chcl2+ CHCl2CCH CHClCCHCl CHF2+ CHF2CH2F
CHFCl CHFCl+ CHNH2 CHNH2+ CHSNH2 CI4
ClFH+ COH CS3-- dae furanone GeCl+
H2COCH2+ H2CS3 H2I+ H2OO HCCCHO HCNCH2+
hexatetraene HI+ HN3+ HNC+ HNCCNH HSCH2SH
HSO+ if3 IF7 IO KI LiAl
LiI LiNH2 N3P3 Na2S NH2CH2NH3+ NH2CHOH+
NH2Cl NH2CNH+ NH2OH+ NH2OH2+ NH3CN+ NH3OH+
NH4 NH4Cl NHCl2 NHF2 NI3 NSO
OHCH2CN PF2+ PH4 prismane quadricyclane S4
SbN SCSe Si2H4 SiBr+ SiC2 SiGe
SiH2D2 SiH2F2 SiH3OH SiH5+ SiHF3 SiSe
SiSe+ SOH SOH+ SSCl2 XeF2