National Institute of Standards and Technology
Computational Chemistry Comparison and Benchmark DataBase
Release 22May 2022
NIST Standard Reference Database 101
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IV.A.4. (XIV.F.)

Isomer count

Click on formula for a list of experimental and calculated relative enthalpies.
Hill formula Number of isomers 0 K 298.15 K
Cl2S2 2 view view
ClFO 2 view view
ClNO2 2 view view
ClO2 2 view view
ClO2+ 2 view view
F2N2 2 view view
F2S2 2 view view
FNO2 2 view view
FNS 2 view view
N2O3 2 view view
NOS 2 view view
ClFH+ 2 view view
HN2O+ 2 view view
HNO 2 view view
HNO+ 2 view view
HOS+ 2 view view
H2N2 3 view view
H2O2 2 view view
H3NO 2 view view
H3NS 2 view view
H3OP 2 view view
B2H4 2 view view
H4NO+ 2 view view
B12H12-- 2 view view
CAlN 2 view view
CFN 2 view view
CN2 3 view view
CNO- 2 view view
CNZn 2 view view
CHN 2 view view
CHN+ 2 view view
CHNO 3 view view
CHNS 2 view view
CHO 2 view view
CHO+ 2 view view
CHO2 2 view view
CH2F3P 2 view view
CH2N 3 view view
CH2N+ 3 view view
CH2N2 4 view view
CH2O 2 view view
CH2O2 3 view view
CH3BO 3 view view
CH3Cl3Si 2 view view
CH3N 2 view view
CH3N+ 2 view view
CH3N2+ 4 view view
CH3NO 5 view view
CH3NO2 3 view view
CH3NS 2 view view
CH3O 2 view view
CH3O+ 2 view view
CH3O2 2 view view
CH4NO+ 3 view view
CH4NO2+ 2 view view
CH4O2 3 view view
CH4O3 4 view view
CH4S2 2 view view
CH5N2O+ 2 view view
CH6O2 2 view view
C2Cl2F2 3 view view
C2Cl2F4 2 view view
C2H2- 2 view view
C2H2 2 view view
C2H2Br2 3 view view
C2H2Cl2 3 view view
C2H2Cl2F2 3 view view
C2H2Cl4 2 view view
C2H2ClF 3 view view
C2H2F2 3 view view
C2H2F4 2 view view
C2H2N2 2 view view
C2H2O 3 view view
C2H2O3 2 view view
C2H3Cl3 2 view view
C2H3ClO 2 view view
C2H3F3 2 view view
C2H3FO 2 view view
C2H3N 7 view view
C2H3N+ 2 view view
C2H3NO 3 view view
C2H3O 2 view view
C2H3O+ 3 view view
C2H4 2 view view
C2H4Cl 2 view view
C2H4Cl2 2 view view
C2H4ClF 2 view view
C2H4F2 2 view view
C2H4N 2 view view
C2H4N2 2 view view
C2H4N4 3 view view
C2H4O 3 view view
C2H4O+ 2 view view
C2H4O2 4 view view
C2H4O3 3 view view
C2H4S 3 view view
C2H5N 4 view view
C2H5NO 5 view view
C2H5O 4 view view
C2H5O+ 2 view view
C2H6N+ 2 view view
C2H6N2 3 view view
C2H6N2O2 2 view view
C2H6O 2 view view
C2H6S 2 view view
C2H6S2 2 view view
C2H7N 2 view view
C2H8N+ 2 view view
C2H8N2 2 view view
C3H2Cl2 3 view view
C3H2O 3 view view
C3H3+ 2 view view
C3H3NO 2 view view
C3H4 3 view view
C3H4N2 4 view view
C3H4O 5 view view
C3H4O2 6 view view
C3H5 2 view view
C3H5Cl 3 view view
C3H5F 3 view view
C3H5NO 2 view view
C3H6 2 view view
C3H6Cl2 4 view view
C3H6F2 2 view view
C3H6O 7 view view
C3H6O2 4 view view
C3H6S 3 view view
C3H6S3 2 view view
C3H7 2 view view
C3H7+ 2 view view
C3H7Br 2 view view
C3H7Cl 2 view view
C3H7F 2 view view
C3H7N 2 view view
C3H7NO 2 view view
C3H7NO2 6 view view
C3H8N2O 3 view view
C3H8O 3 view view
C3H8O2 4 view view
C3H8S 3 view view
C3H9N 3 view view
C3H10N+ 2 view view
C4HN3 2 view view
C4H3ClO 2 view view
C4H4 4 view view
C4H4N2 4 view view
C4H4O 2 view view
C4H4O2 2 view view
C4H5N 7 view view
C4H5NO 2 view view
C4H6 8 view view
C4H6N+ 3 view view
C4H6O 6 view view
C4H6O2 4 view view
C4H6OS 7 view view
C4H6S 3 view view
C4H7Cl 8 view view
C4H7N 2 view view
C4H7NO 4 view view
C4H8 6 view view
C4H8Cl2 5 view view
C4H8O 7 view view
C4H8O2 6 view view
C4H9 3 view view
C4H9Cl 3 view view
C4H9F 2 view view
C4H9N 2 view view
C4H9NO 2 view view
C4H10 2 view view
C4H10O 7 view view
C4H10O2 4 view view
C4H10S 6 view view
C4H11N 5 view view
C4H12N2 2 view view
C5H4O2 2 view view
C5H5N 3 view view
C5H5NO 11 view view
C5H6 6 view view
C5H6O 4 view view
C5H6S 2 view view
C5H7 2 view view
C5H7N 5 view view
C5H8 15 view view
C5H8O 4 view view
C5H9N 4 view view
C5H10 7 view view
C5H10O 8 view view
C5H10S 5 view view
C5H11N 2 view view
C5H12 3 view view
C5H12O 9 view view
C5H12S 10 view view
C6H4 3 view view
C6H4Cl2 3 view view
C6H4F2 3 view view
C6H6 10 view view
C6H6O 3 view view
C6H7N 2 view view
C6H8 10 view view
C6H10 17 view view
C6H12 18 view view
C6H12O 2 view view
C6H12O2 2 view view
C6H13N 2 view view
C6H14 5 view view
C7H7 2 view view
C7H8 4 view view
C7H10 2 view view
C7H16 3 view view
C8H6 4 view view
C8H8 3 view view
C8H10 3 view view
C8H18 2 view view
C9H8 2 view view
C10H8 2 view view
C12H8 2 view view
C12H10 2 view view
C14H10 2 view view