National Institute of Standards and Technology

Computational Chemistry Comparison and Benchmark DataBase
Release 22	May 2022
NIST Standard Reference Database 101

I	Introduction
II	Experimental data
III	Calculated data
IV	Data comparisons
V	Cost comparisons
VI	Input and output files
VII	Tutorials and Units
VIII	Links to other sites
IX	Feedback
X	Older CCCBDB versions
XII	Geometries
XIII	Vibrations
XIV	Reaction data
XV	Entropy data
XVI	Bibliographic data
XVII	Ion data
XVIII	Bad calculations
XIX	Index of properties
XX	H-bond dimers
XXI	Oddities

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II.B.6.

Experimental Barriers to Internal Rotation

Click on a name for more details.

Species	Name
B₂Cl₄	Diboron tetrachloride
B₂F₄	Diboron tetrafluoride
BH₃NH₃	borane ammonia
C₂F₆	hexafluoroethane
C₂H₂O₂	Ethanedial
C₂H₅F	fluoroethane
C₂H₅NO₃	Nitric acid, ethyl ester
C₂H₆	Ethane
C₃H₄O	Methylketene
C₃H₆O	Propylene oxide
C₆H₅CHCH₂	Styrene
C₆H₅CHO	benzaldehyde
C₆H₅OH	phenol
CH₂CHCH₃	Propene
CH₂ClCH₂Cl	Ethane, 1,2-dichloro-
CH₂ClCHCHCH₃	2-Butene, 1-chloro-
CH₂ClCHO	chloroacetaldehyde
CH₃CCl₃	Ethane, 1,1,1-trichloro-
CH₃CF₃	Ethane, 1,1,1-trifluoro-
CH₃CH₂CH₂CH₃	Butane
CH₃CH₂CHO	Propanal
CH₃CH₂Cl	Ethyl chloride
CH₃CH₂OH	Ethanol
CH₃CHF₂	Ethane, 1,1-difluoro-
CH₃CHO	Acetaldehyde
CH₃CHOHCH₃	Isopropyl alcohol
CH₃COCH₂CH₃	2-Butanone
CH₃CONH₂	Acetamide
CH₃COOH	Acetic acid
CH₃NH₂	methyl amine
CH₃OCH₂CN	Methoxyacetonitrile
CH₃OCH₃	Dimethyl ether
CH₃OH	Methyl alcohol
CH₃SeH	Methane selenol
CH₃SiH₃	methyl silane
CHCCH₂CH₃	1-Butyne
ClSSCl	Disulfur dichloride
H₂NCH₂COOH	Glycine
H₂O₂	Hydrogen peroxide
HCOOH	Formic acid
N₂H₄	Hydrazine