National Institute of Standards and Technology
Computational Chemistry Comparison and Benchmark DataBase
Release 18October 2016
NIST Standard Reference Database 101
IIntroduction
IIExperimental data
IIICalculated data
IVData comparisons
VCost comparisons
VIInput and output files
VIITutorials and Units
VIIILinks to other sites
IXFeedback
XOlder CCCBDB versions
XIIGeometries
XIII Vibrations
XIVReaction data
XVEntropy data
XVIBibliographic data
XVIIIon data
XVIIIBad calculations
XIXIndex of properties
XXH-bond dimers
XXIOddities

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I.B.1.d.2.

Bonds types in CCCBDB

All species with N-O bond.

Species Name List all bonds Experimental data
NOH NOH List all bonds Experimental data
NH2OH hydroxylamine List all bonds Experimental data
NH3O Ammonia Oxide List all bonds Experimental data
NNOH+ Nitrous Oxide, O-protonated List all bonds Experimental data
HNO2 Nitrous acid List all bonds Experimental data
HNO2+ nitrous acid cation List all bonds Experimental data
CH2NOH formaldoxime List all bonds Experimental data
CNOH3 1,2-oxaziridine List all bonds Experimental data
FNO Nitrosyl fluoride List all bonds Experimental data
NO3 Nitrogen trioxide List all bonds Experimental data
NO3- nitrate anion List all bonds Experimental data
NO3+ nitrogen trioxide cation List all bonds Experimental data
HNO3 Nitric acid List all bonds Experimental data
H2NO3+ Nitric Acid, Protonated List all bonds Experimental data
CH3ONO Methyl nitrite List all bonds Experimental data
CH3CHNOH Acetaldoxime List all bonds Experimental data
FONO Nitrosyl hypofluorite List all bonds Experimental data
ClNO2 Nitryl chloride List all bonds Experimental data
ClONO chlorine nitrite List all bonds Experimental data
BrONO Bromine nitrite List all bonds Experimental data
ONONO Nitrosyl nitrite List all bonds Experimental data
HOONO2 peroxy nitric acid List all bonds Experimental data
C3H3NO Isoxazole List all bonds Experimental data
CH3NO3 Methyl nitrate List all bonds Experimental data
FNO3 Fluorine nitrate List all bonds Experimental data
ClONO2 Chlorine nitrate List all bonds Experimental data
BrONO2 Bromine nitrate List all bonds Experimental data
C4H5NO 3-Methylisoxazole List all bonds Experimental data
C4H5NO Isoxazole, 5-methyl- List all bonds Experimental data
C2H5NO3 Nitric acid, ethyl ester List all bonds Experimental data
C3H7ONO Propyl nitrite List all bonds Experimental data
CH3CH(CH3)ONO Iso-propyl nitrite List all bonds Experimental data
C4H11NO Diethylhydroxylamine List all bonds Experimental data
N2O5 Dinitrogen pentoxide List all bonds Experimental data
C6H5NO2 Nitrobenzene List all bonds Experimental data