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.4. (XII.A.4.)

List of experimental bond angles of type aHCCl

Bond angles in degrees.
Click on an entry for more experimental geometry data.

Bond type	Species	Name	Angle	Comment
aHCCl	HCCl	Chloromethylene	101.40
aHCCl	CH2CHCH2CH2Cl	1-Butene, 4-chloro-	106.50
aHCCl	CHCl3	Chloroform	107.98	from symmetry
aHCCl	CH2Cl2	Methylene chloride	108.15	derived from other angles
aHCCl	CH3Cl	Methyl chloride	108.16	by symmetry
aHCCl	CHFClBr	fluorochlorobromomethane	108.50	fixed
aHCCl	CH2ClI	chloroiodomethane	108.70
aHCCl	CH2ClCHClCH3	Propane, 1,2-dichloro-	109.00
aHCCl	CH2FCl	fluorochloromethane	109.40
aHCCl	CHF2Cl	difluorochloromethane	110.74
aHCCl	CHClCHCl	Ethene, 1,2-dichloro-, (Z)-	112.55
Average			108.28	±2.77
Min			101.40
Max			112.55