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 aFClF

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

Bond type	Species	Name	Angle	Comment
aFClF	ClF5	chlorinepentafluoride	86.50
aFClF	ClF3	Chlorine trifluoride	87.45	re structure
aFClF	ClOF3	Chlorine trifluoride oxide	87.90	axial to equitorial
aFClF	ClF3	Chlorine trifluoride	174.90	from symmetry assuming planar
Average			109.19	±43.81
Min			86.50
Max			174.90