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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The National Institute of Standards and Technology (NIST) is an agency of the U.S. Department of Commerce.

Please send questions, comments, corrections, additions and suggestions to cccbdb@nist.gov.

I.B.1.d.2.

Bonds types in CCCBDB

All species with O=P bond.

Species	Name	List all bonds	Experimental data
HPO	Hydrogen phosphorus oxide	List all bonds	Experimental data
HPO+	Hydrogen phosphorus oxide cation	List all bonds	Experimental data
PO	Phosphorus monoxide	List all bonds	Experimental data
PO-	phosphorus monoxide anion	List all bonds	Experimental data
PPO	Phosphorus oxide phosphide	List all bonds	Experimental data
PO2	Phosphorus dioxide	List all bonds	Experimental data
PO2-	Phosphorus dioxide anion	List all bonds	Experimental data
PO2+	Phosphorus dioxide cation	List all bonds	Experimental data
OPCl	Phosphorus oxychloride	List all bonds	Experimental data
H3PO4	Phosphoric Acid	List all bonds	Experimental data
F3PO	Phosphoryl fluoride	List all bonds	Experimental data
Cl3PO	Phosphoryl chloride	List all bonds	Experimental data