III.D.11.

Proton Affinity

Click on formula for calculated relative enthalpies.

Name	Species		Species	Name
Hydrogen atom	H	→	H₂⁺	Hydrogen cation
Helium atom	He	→	HeH⁺	Helium hydride cation
Lithium atom	Li	→	LiH⁺	lithium hydride cation
Beryllium atom	Be	→	BeH⁺	beryllium monohydride cation
Boron atom	B	→	BH⁺	boron monohydride cation
Carbon atom	C	→	CH⁺	Methylidyne cation
Nitrogen atom	N	→	NH⁺	imidogen cation
Oxygen atom	O	→	OH⁺	hydoxyl cation
Fluorine atom	F	→	HF⁺	hydrogen fluoride cation
Neon atom	Ne	→	NeH⁺	neon hydrogen cation
Sodium atom	Na	→	NaH⁺	sodium hydride cation
Magnesium atom	Mg	→	MgH⁺	magnesium monohydride cation
Aluminum atom	Al	→	AlH⁺	aluminum monohydride cation
Silicon atom	Si	→	SiH⁺	silicon monohydride cation
Phosphorus atom	P	→	PH⁺	phosphorus monohydride cation
Sulfur atom	S	→	HS⁺	sulfur monohydride cation
Chlorine atom	Cl	→	HCl⁺	hydrogen chloride cation
Argon atom	Ar	→	ArH⁺	Argon hydride cation
Potassium atom	K	→	KH⁺	Potassium hydrogen cation
Calcium atom	Ca	→	CaH⁺	Calcium monohydride cation
Scandium atom	Sc	→	ScH⁺	Scandium monohydride cation
Chromium atom	Cr	→	CrH⁺	Chromium hydride cation
Manganese atom	Mn	→	H⁺	Hydrogen atom cation
Manganese atom	Mn	→	XeH⁺	Xenon, protonated
Zinc atom	Zn	→	ZnH⁺	Zinc, protonated
Gallium atom	Ga	→	GaH⁺	Gallium monohydride cation
Germanium atom	Ge	→	GeH⁺	Germaniun monohyrdide cation
Arsenic atomic	As	→	AsH⁺	Arsenic monohydride cation
Selenium atom	Se	→	HSe⁺	selenium monohydride cation
Bromine atom	Br	→	HBr⁺	hydrogen bromide cation
Krypton atom	Kr	→	KrH⁺	Protonated Krypton
Tin atom	Sn	→	H⁺	Hydrogen atom cation
Tin atom	Sn	→	XeH⁺	Xenon, protonated
Antimony atom	Sb	→	H⁺	Hydrogen atom cation
Antimony atom	Sb	→	XeH⁺	Xenon, protonated
Tellurium atom	Te	→	H⁺	Hydrogen atom cation
Tellurium atom	Te	→	XeH⁺	Xenon, protonated
Iodine atom	I	→	HI⁺	Hydrogen iodide cation
Xenon atom	Xe	→	H⁺	Hydrogen atom cation
Xenon atom	Xe	→	XeH⁺	Xenon, protonated
Hydrogen diatomic	H₂	→	H₃⁺	hydrogen trimer cation
beryllium monohydride	BeH	→	BeH₂⁺	Beryllium dihydride cation
Boron monohydride	BH	→	BH₂⁺	Boron dihydride cation
Methylidyne	CH	→	CH₂⁺	methylene cation
Imidogen	NH	→	NH₂⁺	Amino cation
Hydroxyl radical	OH	→	H₂O⁺	water cation
Hydrogen fluoride	HF	→	H₂F⁺	dihydrogen fluoride cation
Carbon diatomic	C₂	→	C₂H⁺	Ethynyl cation
Cyano radical	CN	→	HCN⁺	hydrogen cyanide cation
Cyano radical	CN	→	HNC⁺	hydrogen isocyanide cation
aluminum monohydride	AlH	→	AlH₂⁺	aluminum dihydride cation
Carbon monoxide	CO	→	HCO⁺	Formyl cation
Carbon monoxide	CO	→	COH⁺	Carbon Monoxide, protonated
Nitrogen diatomic	N₂	→	NNH⁺	Dinitrogen monohydride cation
Silylidyne	SiH	→	SiH₂⁺	silicon dihydride cation
Nitric oxide	NO	→	HNO⁺	Nitrosyl hydride cation
Nitric oxide	NO	→	NOH⁺	O-protonated nitric oxide
phosphorus monohydride	PH	→	PH₂⁺	Phosphino cation
Oxygen diatomic	O₂	→	HO₂⁺	Hydroperoxy cation
Mercapto radical	HS	→	H₂S⁺	Hydrogen sulfide cation
Hydrogen chloride	HCl	→	H₂Cl⁺	dihydrogen monochloride cation
Fluorine diatomic	F₂	→	F₂H⁺	Fluorine, protonated
Carbon monophosphide	CP	→	HCP⁺	Phosphaethyne cation
carbon monosulfide	CS	→	HCS⁺	Thioformyl cation
Phosphorus monoxide	PO	→	HPO⁺	Hydrogen phosphorus oxide cation
Sulfur monoxide	SO	→	HSO⁺	Sulfur Monoxide, S-protonated
Sulfur monoxide	SO	→	SOH⁺	Sulfur Monoxide, protonated
Monochlorine monoxide	ClO	→	HOCl⁺	hypochlorous acid cation
Chlorine monofluoride	ClF	→	ClFH⁺	Chlorine fluoride, F-protonated
Chlorine monofluoride	ClF	→	FClH⁺	Chlorine fluoride, Cl-protonated
Arsenic monohydride	AsH	→	AsH₂⁺	Arsenic dihydride cation
Chlorine diatomic	Cl₂	→	Cl₂H⁺	Chlorine, protonated
Selenium monohydride	HSe	→	H₂Se⁺	Hydrogen selenide cation
hydrogen bromide	HBr	→	H₂Br⁺	protonated hydrogen bromide
Bromine monoxide	BrO	→	HOBr⁺	Hypobromous acid cation
Phosphorus monoselenide	PSe	→	PH⁺	phosphorus monohydride cation
Antimony monohydride	SbH	→	H₂⁺	Hydrogen cation
Telluryl radical	TeH	→	H₂⁺	Hydrogen cation
Hydrogen iodide	HI	→	H₂I⁺	Iodonium
Antimony nitride	SbN	→	NH⁺	imidogen cation
Antimony monofluoride	SbF	→	HF⁺	hydrogen fluoride cation
Tellurium monoxide	TeO	→	OH⁺	hydoxyl cation
Sodium Iodide	NaI	→	NaH⁺	sodium hydride cation
Antimony monochloride	SbCl	→	HCl⁺	hydrogen chloride cation
Tellurium diatomic	Te₂	→	H⁺	Hydrogen atom cation
Tellurium diatomic	Te₂	→	XeH⁺	Xenon, protonated
boron dihydride	BH₂	→	BH₃⁺	boron trihydride cation
Methylene	CH₂	→	CH₃⁺	methyl cation
Amino radical	NH₂	→	NH₃⁺	ammonia cation
Water	H₂O	→	H₃O⁺	hydronium cation
Ethynyl radical	C₂H	→	C₂H₂⁺	acetylene cation
Hydrogen cyanide	HCN	→	H₂CN⁺	hydrocyanonium cation
Hydrogen cyanide	HCN	→	CNH₂⁺	N-protonated hydrogen isocyanide
Hydrogen cyanide	HCN	→	HCNH⁺	N-protonated HCN
hydrogen isocyanide	HNC	→	H₂CN⁺	hydrocyanonium cation
hydrogen isocyanide	HNC	→	CNH₂⁺	N-protonated hydrogen isocyanide
hydrogen isocyanide	HNC	→	HCNH⁺	N-protonated HCN
aluminum dihydride	AlH₂	→	AlH₃⁺	aluminum trihydride cation
Formyl radical	HCO	→	H₂CO⁺	formaldehyde cation
Hydroxymethylidyne	COH	→	H₂CO⁺	formaldehyde cation
Dinitrogen monohydride	NNH	→	N₂H₂⁺	trans-diazene cation
silicon dihydride	SiH₂	→	SiH₃⁺	Silyl cation
Fluoromethylene	HCF	→	CH₂F⁺	fluoromethyl cation
Phosphino radical	PH₂	→	PH₃⁺	Phosphine cation
Hydroperoxy radical	HO₂	→	H₂O₂⁺	Hydrogen peroxide cation
Hydrogen sulfide	H₂S	→	H₃S⁺	Sulfonium cation
azide radical	N₃	→	HN₃⁺	Hydrazoic acid cation
Carbon dioxide	CO₂	→	HOCO⁺	Hydrocarboxyl cation
Nitrous oxide	N₂O	→	NNOH⁺	Nitrous Oxide, O-protonated
Nitrous oxide	N₂O	→	HNNO⁺	Nitrous oxide, N-protonated
Thioformyl radical	HCS	→	H₂CS⁺	thioformaldehyde cation
Carbonyl fluoride	FCO	→	HFCO⁺	formyl fluoride cation
Nitrogen dioxide	NO₂	→	HNO₂⁺	nitrous acid cation
Chloromethylene	HCCl	→	CH₂Cl⁺	chloromethyl cation
Difluoromethylene	CF₂	→	CHF₂⁺	difluoromethyl cation
Ozone	O₃	→	O₃H⁺	protonated ozone
Sulfur Hydroxide	SOH	→	H₂CS⁺	thioformaldehyde cation
chlorofluoromethylene	CFCl	→	CHFCl⁺	Chlorofluoromethyl cation
Sulfur dioxide	SO₂	→	SO₂H⁺	protonated sulfur dioxide
Thiosulfeno radical	HS₂	→	H₂S₂⁺	hydrogen disulfide cation
germylene	GeH₂	→	GeH₃⁺	germyl cation
Arsenic dihydride	AsH₂	→	AsH₃⁺	Arsine cation
Hydrogen selenide	H₂Se	→	H₃Se⁺	Hydrogen Selenide, protonated
Carbon disulfide	CS₂	→	CS₂H⁺	Carbon disulfide, protonated
dichloromethylene	CCl₂	→	CHCl₂⁺	dichloromethyl cation
Hydrogen Telluride	H₂Te	→	H₃⁺	hydrogen trimer cation
Tellurium Dioxide	TeO₂	→	HO₂⁺	Hydroperoxy cation
Xenon difluoride	XeF₂	→	F₂H⁺	Fluorine, protonated
Carbon sulfide Telluride	SCTe	→	HCS⁺	Thioformyl cation
Methyl radical	CH₃	→	CH₄⁺	Methane cation
Ammonia	NH₃	→	NH₄⁺	ammonium cation
vinylidene	CCH₂	→	C₂H₃⁺	vinyl cation
Acetylene	C₂H₂	→	C₂H₃⁺	vinyl cation
Dihydrogen cyanide radical	H₂CN	→	CH₂NH⁺	Methanimine cation
Dihydrogen cyanide radical	H₂CN	→	CHNH₂⁺	Aminocarbene cation
Aminomethylidyne radical	CNH₂	→	CH₂NH⁺	Methanimine cation
Aminomethylidyne radical	CNH₂	→	CHNH₂⁺	Aminocarbene cation
methyleneazane	HCNH	→	CH₂NH⁺	Methanimine cation
methyleneazane	HCNH	→	CHNH₂⁺	Aminocarbene cation
hydroxycarbene	HOCH	→	CH₃O⁺	Methoxy cation
hydroxycarbene	HOCH	→	CH₂OH⁺	hydroxymethyl cation
Formaldehyde	H₂CO	→	CH₃O⁺	Methoxy cation
Formaldehyde	H₂CO	→	CH₂OH⁺	hydroxymethyl cation
Silyl radical	SiH₃	→	SiH₄⁺	Silane cation
fluoromethyl radical	CH₂F	→	CH₃F⁺	methyl fluoride cation
nitroxide	H₂NO	→	NH₂OH⁺	Hydroxylamine cation
Phosphine	PH₃	→	PH₄⁺	phosphonium cation
Hydrogen peroxide	H₂O₂	→	H₃O₂⁺	hydrogen peroxide, protonated
water oxide	H₂OO	→	H₃O₂⁺	hydrogen peroxide, protonated
ketenyl radical	HCCO	→	CH₂CO⁺	Ketene cation
hydrogen azide	HN₃	→	NH₂NN⁺	hydrazoic acid, protonated
hydrogen azide	HN₃	→	HNNNH⁺	1,2-Triazadienium
formate neutral radical	HCOO	→	H₂COO⁺	dioxymethyl cation
Hydrocarboxyl radical	HOCO	→	H₂COO⁺	dioxymethyl cation
Thioformaldehyde	H₂CS	→	H₂CSH⁺	Thioformaldehyde, protonated
chloramine	NH₂Cl	→	NH₃Cl⁺	protonated monochloroammonia
Nitrogen trifluoride	NF₃	→	NF₃H⁺	protonated nitrogen trifluoride
Arsine	AsH₃	→	AsH₄⁺	Arsonium
chloromethyl radical	CH₂Cl	→	CH₃Cl⁺	Methyl chloride cation
Arsenic trifluoride	AsF₃	→	AsF₃H⁺	Arsenic trifluoride, protonated
Tellurium trioxide	TeO₃	→	O₃H⁺	protonated ozone
vinyl	C₂H₃	→	C₂H₄⁺	Ethylene cation
Methanimine	CH₂NH	→	CH₂NH₂⁺	methyleneamine cation
aminomethylene	CHNH₂	→	CH₂NH₂⁺	methyleneamine cation
Methoxy radical	CH₃O	→	CH₃OH⁺	Methyl alcohol cation
Hydroxymethyl radical	CH₂OH	→	CH₃OH⁺	Methyl alcohol cation
Silane	SiH₄	→	SiH₅⁺	Silane, protonated
hydroxylamine	NH₂OH	→	NH₃OH⁺	N-protonated hydroxylamine
hydroxylamine	NH₂OH	→	NH₂OH₂⁺	protonated hydroxylamine
Ammonia Oxide	NH₃O	→	NH₃OH⁺	N-protonated hydroxylamine
Ammonia Oxide	NH₃O	→	NH₂OH₂⁺	protonated hydroxylamine
diazirine	CH₂N₂	→	NCNH₃⁺	Cyanamide, protonated
diazirine	CH₂N₂	→	HNCNH₂⁺	diiminomethane, protonated
diazirine	CH₂N₂	→	NH₃CN⁺	cyanamide, amine protonated
diazirine	CH₂N₂	→	NH₂CNH⁺	cyanamide, cn protonated
diiminomethane	HNCNH	→	NCNH₃⁺	Cyanamide, protonated
diiminomethane	HNCNH	→	HNCNH₂⁺	diiminomethane, protonated
diiminomethane	HNCNH	→	NH₃CN⁺	cyanamide, amine protonated
diiminomethane	HNCNH	→	NH₂CNH⁺	cyanamide, cn protonated
diazomethane	CH₂NN	→	NCNH₃⁺	Cyanamide, protonated
diazomethane	CH₂NN	→	HNCNH₂⁺	diiminomethane, protonated
diazomethane	CH₂NN	→	NH₃CN⁺	cyanamide, amine protonated
diazomethane	CH₂NN	→	NH₂CNH⁺	cyanamide, cn protonated
cyanamide	NH₂CN	→	NCNH₃⁺	Cyanamide, protonated
cyanamide	NH₂CN	→	HNCNH₂⁺	diiminomethane, protonated
cyanamide	NH₂CN	→	NH₃CN⁺	cyanamide, amine protonated
cyanamide	NH₂CN	→	NH₂CNH⁺	cyanamide, cn protonated
Oxirene	C₂H₂O	→	CH₃CHO⁺	acetaldehyde cation
Oxirene	C₂H₂O	→	CH₃CO⁺	acetyl cation
Oxirene	C₂H₂O	→	CH₂COH⁺	ketene, protonated
Ketene	CH₂CO	→	CH₃CHO⁺	acetaldehyde cation
Ketene	CH₂CO	→	CH₃CO⁺	acetyl cation
Ketene	CH₂CO	→	CH₂COH⁺	ketene, protonated
ethynol	HCCOH	→	CH₃CHO⁺	acetaldehyde cation
ethynol	HCCOH	→	CH₃CO⁺	acetyl cation
ethynol	HCCOH	→	CH₂COH⁺	ketene, protonated
Dioxymethyl radical	H₂COO	→	CH₃OO⁺	methylperoxy cation
Dioxirane	CH₂O₂	→	CH₃OO⁺	methylperoxy cation
Formic acid	HCOOH	→	CH₃OO⁺	methylperoxy cation
thiomethoxy	CH₃S	→	CH₃SH⁺	Methanethiol cation
Methyl chloride	CH₃Cl	→	CH₃ClH⁺	methyl chloride, protonated
Nitric acid	HNO₃	→	H₂NO₃⁺	Nitric Acid, Protonated
tetraiodomethane	CI₄	→	CH⁺	Methylidyne cation
silicon tetraiodide	SiI₄	→	SiH⁺	silicon monohydride cation
methylmethylene	CH₃CH	→	C₂H₅⁺	Ethyl cation
Ethylene	C₂H₄	→	C₂H₅⁺	Ethyl cation
Methyl alcohol	CH₃OH	→	CH₃OH₂⁺	Methanol, protonated
Hydrazine	N₂H₄	→	N₂H₅⁺	protonated hydrazine
water dimer	H₂OH₂O	→	H₅O₂⁺	Dihydroxonium ion
Vinyloxy radical	CH₂CHO	→	C₂H₄O⁺	ethylene oxide cation
Vinyloxy radical	CH₂CHO	→	H₂COCH₂⁺	Methyl, (methyleneoxoniumyl)-
Acetyl radical	CH₃CO	→	C₂H₄O⁺	ethylene oxide cation
Acetyl radical	CH₃CO	→	H₂COCH₂⁺	Methyl, (methyleneoxoniumyl)-
1,2-oxaziridine	CNOH₃	→	H₂CONH₂⁺	protonated formamide
1,2-oxaziridine	CNOH₃	→	NH₃CHO⁺	Formamide, N-Protonated
1,2-oxaziridine	CNOH₃	→	NH₂CHOH⁺	Formamide, O-protonated
nitrosomethane	CH₃NO	→	H₂CONH₂⁺	protonated formamide
nitrosomethane	CH₃NO	→	NH₃CHO⁺	Formamide, N-Protonated
nitrosomethane	CH₃NO	→	NH₂CHOH⁺	Formamide, O-protonated
formaldoxime	CH₂NOH	→	H₂CONH₂⁺	protonated formamide
formaldoxime	CH₂NOH	→	NH₃CHO⁺	Formamide, N-Protonated
formaldoxime	CH₂NOH	→	NH₂CHOH⁺	Formamide, O-protonated
formamide	CHONH₂	→	H₂CONH₂⁺	protonated formamide
formamide	CHONH₂	→	NH₃CHO⁺	Formamide, N-Protonated
formamide	CHONH₂	→	NH₂CHOH⁺	Formamide, O-protonated
hydroxymethylimine	HOCHNH	→	H₂CONH₂⁺	protonated formamide
hydroxymethylimine	HOCHNH	→	NH₃CHO⁺	Formamide, N-Protonated
hydroxymethylimine	HOCHNH	→	NH₂CHOH⁺	Formamide, O-protonated
Methanethiol	CH₃SH	→	CH₃SH₂⁺	protonated methylsulfide
Carbonic acid	H₂CO₃	→	H₃CO₃⁺	carbonic acid, protonated
Ethyl radical	C₂H₅	→	C₂H₆⁺	ethane cation
methyl amine	CH₃NH₂	→	CH₃NH₃⁺	protonated methylamine
propyne	CH₃CCH	→	C₃H₅⁺	Allyl cation
allene	CH₂CCH₂	→	C₃H₅⁺	Allyl cation
cyclopropene	C₃H₄	→	C₃H₅⁺	Allyl cation
ethenol	CH₂CHOH	→	CH₃CHOH⁺	acetaldehyde, protonated
ethenol	CH₂CHOH	→	C₂H₄OH⁺	ethylene oxide, protonated
Acetaldehyde	CH₃CHO	→	CH₃CHOH⁺	acetaldehyde, protonated
Acetaldehyde	CH₃CHO	→	C₂H₄OH⁺	ethylene oxide, protonated
Ethylene oxide	C₂H₄O	→	CH₃CHOH⁺	acetaldehyde, protonated
Ethylene oxide	C₂H₄O	→	C₂H₄OH⁺	ethylene oxide, protonated
Methyl phosphine	CH₃PH₂	→	CH₃PH₃⁺	methyl phosphine, protonated
methyl azide	CH₃N₃	→	CH₃NHN₂⁺	methyl azide, protonated
Methyl nitrite	CH₃ONO	→	NH₃COOH⁺	protonated Carbamic acid
Methyl nitrite	CH₃ONO	→	NH₂COOH₂⁺	Carbamic acid, O-protonated
Carbamic acid	NH₂COOH	→	NH₃COOH⁺	protonated Carbamic acid
Carbamic acid	NH₂COOH	→	NH₂COOH₂⁺	Carbamic acid, O-protonated
Methane, nitro-	CH₃NO₂	→	NH₃COOH⁺	protonated Carbamic acid
Methane, nitro-	CH₃NO₂	→	NH₂COOH₂⁺	Carbamic acid, O-protonated
Ethane	C₂H₆	→	C₂H₇⁺	Ethane, protonated
Ammonia Dimer	NH₃NH₃	→	N₂H₇⁺	ammonia ammonium dimer
Aziridine	C₂H₅N	→	C₂H₅NH⁺	Protonated Aziridine
Aziridine	C₂H₅N	→	C₂H₆N⁺	aziridine, protonated
aminoethene	CH₂CHNH₂	→	C₂H₅NH⁺	Protonated Aziridine
aminoethene	CH₂CHNH₂	→	C₂H₆N⁺	aziridine, protonated
N-methylmethanimine	CH₂NCH₃	→	C₂H₅NH⁺	Protonated Aziridine
N-methylmethanimine	CH₂NCH₃	→	C₂H₆N⁺	aziridine, protonated
ethanimine	CH₃CHNH	→	C₂H₅NH⁺	Protonated Aziridine
ethanimine	CH₃CHNH	→	C₂H₆N⁺	aziridine, protonated
Urea	NH₂CONH₂	→	CH₅N₂O⁺	urea, N-protonated
Urea	NH₂CONH₂	→	H₂NCOHNH₂⁺	urea, protonated
Cyclopropane	C₃H₆	→	CH₃CHCH₃⁺	Isopropyl cation
Cyclopropane	C₃H₆	→	C₃H₇⁺	cyclopropane, protonated
Propene	CH₂CHCH₃	→	CH₃CHCH₃⁺	Isopropyl cation
Propene	CH₂CHCH₃	→	C₃H₇⁺	cyclopropane, protonated
diaminomethane	NH₂CH₂NH₂	→	NH₂CH₂NH₃⁺	diaminoethane, protonated
Guanidine	CH₅N₃	→	CH₆N₃⁺	guanidinium
2-Chloroethanol	CH₂ClCH₂OH	→	CH₂ClCH₂OH₂⁺	2-chloroethanol, protonated
Dimethylamine	CH₃NHCH₃	→	(CH₃)₂NH₂⁺	dimethylammonium cation
Dimethylamine	CH₃NHCH₃	→	CH₃CH₂NH₃⁺	ethylamine, protonated
Ethylamine	CH₃CH₂NH₂	→	(CH₃)₂NH₂⁺	dimethylammonium cation
Ethylamine	CH₃CH₂NH₂	→	CH₃CH₂NH₃⁺	ethylamine, protonated
Acetone	CH₃COCH₃	→	CH₃COHCH₃⁺	acetone, protonated
Propylene oxide	C₃H₆O	→	CH₃COHCH₃⁺	acetone, protonated
2-Propen-1-ol	C₃H₆O	→	CH₃COHCH₃⁺	acetone, protonated
Propanal	CH₃CH₂CHO	→	CH₃COHCH₃⁺	acetone, protonated
Oxetane	C₃H₆O	→	CH₃COHCH₃⁺	acetone, protonated
Acetone enol	C₃H₆O	→	CH₃COHCH₃⁺	acetone, protonated
Cyclopropanol	C₃H₅OH	→	CH₃COHCH₃⁺	acetone, protonated
3H-pyrrole	C₄H₅N	→	C₄H₆N⁺	pyrrole, protonated
3H-pyrrole	C₄H₅N	→	C₄H₆N⁺	pyrrole, beta-protonated
3H-pyrrole	C₄H₅N	→	C₄H₆N⁺	pyrrole, alpha-protonated
2H-pyrrole	C₄H₅N	→	C₄H₆N⁺	pyrrole, protonated
2H-pyrrole	C₄H₅N	→	C₄H₆N⁺	pyrrole, beta-protonated
2H-pyrrole	C₄H₅N	→	C₄H₆N⁺	pyrrole, alpha-protonated
Cyclopropanecarbonitrile	C₄H₅N	→	C₄H₆N⁺	pyrrole, protonated
Cyclopropanecarbonitrile	C₄H₅N	→	C₄H₆N⁺	pyrrole, beta-protonated
Cyclopropanecarbonitrile	C₄H₅N	→	C₄H₆N⁺	pyrrole, alpha-protonated
(Z)-2-Butenenitrile	C₄H₅N	→	C₄H₆N⁺	pyrrole, protonated
(Z)-2-Butenenitrile	C₄H₅N	→	C₄H₆N⁺	pyrrole, beta-protonated
(Z)-2-Butenenitrile	C₄H₅N	→	C₄H₆N⁺	pyrrole, alpha-protonated
(E)-2-Butenenitrile	C₄H₅N	→	C₄H₆N⁺	pyrrole, protonated
(E)-2-Butenenitrile	C₄H₅N	→	C₄H₆N⁺	pyrrole, beta-protonated
(E)-2-Butenenitrile	C₄H₅N	→	C₄H₆N⁺	pyrrole, alpha-protonated
Pyrrole	C₄H₅N	→	C₄H₆N⁺	pyrrole, protonated
Pyrrole	C₄H₅N	→	C₄H₆N⁺	pyrrole, beta-protonated
Pyrrole	C₄H₅N	→	C₄H₆N⁺	pyrrole, alpha-protonated
Allylcyanide	CH₂CHCH₂CN	→	C₄H₆N⁺	pyrrole, protonated
Allylcyanide	CH₂CHCH₂CN	→	C₄H₆N⁺	pyrrole, beta-protonated
Allylcyanide	CH₂CHCH₂CN	→	C₄H₆N⁺	pyrrole, alpha-protonated
Propellane	C₅H₆	→	C₆H₇⁺	benzene, protonated
phenyl	C₆H₅	→	C₆H₆⁺	Benzene cation
E-2,4-pentadienenitrile	C₅H₅N	→	C₅H₆N⁺	Pyridinium
Pyridine	C₅H₅N	→	C₅H₆N⁺	Pyridinium
Bicyclo[1.1.0]butane-1-carbonitrile	C₅H₅N	→	C₅H₆N⁺	Pyridinium
1-Propanol	C₃H₇OH	→	C₃H₉O⁺	trimethyl oxonium cation
Isopropyl alcohol	CH₃CHOHCH₃	→	C₃H₉O⁺	trimethyl oxonium cation
Ethane, methoxy-	CH₃OC₂H₅	→	C₃H₉O⁺	trimethyl oxonium cation
Fulvene	C₆H₆	→	C₆H₇⁺	benzene, protonated
Prismane	C₆H₆	→	C₆H₇⁺	benzene, protonated
Benzvalene	C₆H₆	→	C₆H₇⁺	benzene, protonated
Hexa-1,5-diene-3-yne	C₆H₆	→	C₆H₇⁺	benzene, protonated
2,4-Hexadiyne	C₆H₆	→	C₆H₇⁺	benzene, protonated
Dewar Benzene	C₆H₆	→	C₆H₇⁺	benzene, protonated
3,4-Dimethylenecyclobutene	C₆H₆	→	C₆H₇⁺	benzene, protonated
Benzene	C₆H₆	→	C₆H₇⁺	benzene, protonated
1,2,4,5-Hexatetraene	C₆H₆	→	C₆H₇⁺	benzene, protonated
Trimethylenecycopropane	C₆H₆	→	C₆H₇⁺	benzene, protonated
2-Propanamine	CH₃CH(NH₂)CH₃	→	C₃H₇NH₃⁺	n-propylamine, protonated
2-Propanamine	CH₃CH(NH₂)CH₃	→	(CH₃)₃NH⁺	protonated trimethyl amine
Trimethylamine	N(CH₃)₃	→	C₃H₇NH₃⁺	n-propylamine, protonated
Trimethylamine	N(CH₃)₃	→	(CH₃)₃NH⁺	protonated trimethyl amine
1-Propanamine	NH₂CH₂CH₂CH₃	→	C₃H₇NH₃⁺	n-propylamine, protonated
1-Propanamine	NH₂CH₂CH₂CH₃	→	(CH₃)₃NH⁺	protonated trimethyl amine
1-Butanamine	C(NH₂)H₂CH₂CH₂CH₃	→	NC₄H₁₂⁺	tetramethyl ammonium cation
diethylamine	NH(C₂H₅)₂	→	NC₄H₁₂⁺	tetramethyl ammonium cation
2-Propanamine, 2-methyl-	C(CH₃)₃NH₂	→	NC₄H₁₂⁺	tetramethyl ammonium cation
1-Propanamine, 2-methyl-	C(NH₂)H₂C(CH₃)HCH₃	→	NC₄H₁₂⁺	tetramethyl ammonium cation
2-Butanamine	CH₃C(NH₂)HCH₂CH₃	→	NC₄H₁₂⁺	tetramethyl ammonium cation

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