III.F.1. (I.A.4.)

List of which calculations are completed at AM1

Ions
Species	Name
H^-	Hydrogen atom anion
H^-	Hydrogen atom anion
H⁺	Hydrogen atom cation
H₂^-	hydrogen diatomic anion
Li^-	Lithium atom anion
BeH₂⁺	Beryllium dihydride cation
BeH₂⁺	Beryllium dihydride cation
Al^-	Aluminum atom anion
Al⁺	Aluminum atom cation
Al⁺	Aluminum atom cation
AlH^-	aluminum monohydride anion
BH₃^-	boron trihydride anion
BH₃⁺	boron trihydride cation
BH₃⁺	boron trihydride cation
BH₃⁺	boron trihydride cation
AlH₃^-	aluminum trihydride anion
AlH₃^-	aluminum trihydride anion
BH₄^-	borohydride anion
C^-	Carbon atom anion
Si^-	Silicon atom anion
Ge^-	Germanium anion
Ge^-	Germanium anion
Ge⁺	Germanium cation
Ge⁺	Germanium cation
Sn⁺	Tin cation
CH₂⁺	methylene cation
GeH₂^-	germylene anion
GeH₃⁺	germyl cation
CH₄^-	Methane anion
CH₄^-	Methane anion
CH₄⁺	Methane cation
CH₄⁺	Methane cation
SiH₅⁺	Silane, protonated
NH₃^-	Ammonia anion
NH₃⁺	ammonia cation
NH₃⁺	ammonia cation
NH₄⁺	ammonium cation
S^-	Sulfur atom anion
S⁺	Sulfur atom cation
CrH⁺	Chromium hydride cation
HSe^-	selenium monohydride anion
H₂O^-	water anion
H₂O^-	water anion
H₂Se⁺	Hydrogen selenide cation
H₂Se⁺	Hydrogen selenide cation
H₃O⁺	hydronium cation
H₃O⁺	hydronium cation
H₃S⁺	Sulfonium cation
F^-	Fluorine atom anion
F⁺	Fluorine atom cation
F⁺	Fluorine atom cation
Cl^-	Chlorine atom anion
Cl⁺	Chlorine atom cation
Cl⁺	Chlorine atom cation
Br^-	Bromine atom anion
Br⁺	Bromine atom cation
HF^-	hydrogen fluoride anion
HF⁺	hydrogen fluoride cation
HCl^-	hydrogen chloride anion
HCl⁺	hydrogen chloride cation
HBr^-	hydrogen bromide anion
HBr⁺	hydrogen bromide cation
H₂Cl⁺	dihydrogen monochloride cation
H₂Cl⁺	dihydrogen monochloride cation
H₂Br⁺	protonated hydrogen bromide
Mg₂^-	magnesium diatomic anion
Mg₂⁺	magnesium diatomic cation
B₂H₆⁺	Diborane cation
C₂H₂⁺	acetylene cation
C₂H₂⁺	acetylene cation
HCCH^-	acetylene anion
C₂H₃⁺	vinyl cation
C₂H₃⁺	vinyl cation
C₂H₃⁺	vinyl cation
C₂H₄⁺	Ethylene cation
C₂H₄⁺	Ethylene cation
C₂H₅⁺	Ethyl cation
HCN⁺	hydrogen cyanide cation
HCP⁺	Phosphaethyne cation
CHNH₂⁺	Aminocarbene cation
CH₂NH₂⁺	methyleneamine cation
CH₂NH₂⁺	methyleneamine cation
N₂H₅⁺	protonated hydrazine
CH₃PH₃⁺	methyl phosphine, protonated
N₂H₇⁺	ammonia ammonium dimer
LiS⁺	Lithium sulfide cation
BeO⁺	Beryllium monoxide cation
O₂^-	oxygen diatomic anion
O₂^-	oxygen diatomic anion
O₂^--	dioxygen dianion
HCO^-	formyl anion
HCO⁺	Formyl cation
HSO⁺	Sulfur Monoxide, S-protonated
SOH⁺	Sulfur Monoxide, protonated
H₂CO^-	formaldehyde anion
H₂CO^-	formaldehyde anion
CH₃OH^-	Methyl alcohol anion
CH₃OH⁺	Methyl alcohol cation
CH₃OH⁺	Methyl alcohol cation
CH₃SH⁺	Methanethiol cation
NH₂OH₂⁺	protonated hydroxylamine
NH₃OH⁺	N-protonated hydroxylamine
CH₃SH₂⁺	protonated methylsulfide
H₅O₂⁺	Dihydroxonium ion
LiF⁺	lithium fluoride cation
GeCl⁺	Germanium monochloride cation
ClO⁺	chlorine monoxide cation
SF⁺	sulfur monofluoride cation
SCl⁺	sulfur monochloride cation
BrO⁺	Bromine monoxide cation
SBr⁺	Sulfur monobromide cation
Br₂^-	bromine diatomic anion
Br₂⁺	bromine diatomic cation
I₂⁺	Iodine diatomic cation
ClFH⁺	Chlorine fluoride, F-protonated
FClH⁺	Chlorine fluoride, Cl-protonated
Cl₂H⁺	Chlorine, protonated
CH₂F⁺	fluoromethyl cation
CH₂Cl⁺	chloromethyl cation
CH₃F⁺	methyl fluoride cation
NH₃Cl⁺	protonated monochloroammonia
CH₃ClH⁺	methyl chloride, protonated
C₃⁺	carbon trimer cation
C₃H₇⁺	cyclopropane, protonated
HN₃⁺	Hydrazoic acid cation
HNNNH⁺	1,2-Triazadienium
NH₂NN⁺	hydrazoic acid, protonated
CH₃CN^-	acetonitrile anion
CH₃CN^-	acetonitrile anion
CH₃CN^-	acetonitrile anion
HCNCH₂⁺	2H-Azirine cation
HNCNH₂⁺	diiminomethane, protonated
NCNH₃⁺	Cyanamide, protonated
NH₂CNH⁺	cyanamide, cn protonated
NH₃CN⁺	cyanamide, amine protonated
C₂H₅NH⁺	Protonated Aziridine
C₂H₆N⁺	aziridine, protonated
(CH₃)₂NH₂⁺	dimethylammonium cation
CH₃CH₂NH₃⁺	ethylamine, protonated
CS₂^-	Carbon disulfide anion
CS₂⁺	Carbon disulfide cation
HCO₂^-	formate anion
O₃H⁺	protonated ozone
O₃H⁺	protonated ozone
O₃H⁺	protonated ozone
SO₂H⁺	protonated sulfur dioxide
CH₃OO⁺	methylperoxy cation
H₂CONH₂⁺	protonated formamide
NH₂CHOH⁺	Formamide, O-protonated
C₂H₄OH⁺	ethylene oxide, protonated
CH₃SCH₃⁺	dimethyl sulfide cation
FOO⁺	Fluorine dioxide cation
PF₂⁺	Phosphorus difluoride cation
SF₂^-	sulfur difluoride anion
SF₂^-	sulfur difluoride anion
F₃^-	trifluoride anion
F₃^-	trifluoride anion
Cl₃^-	trichloride anion
Br₃^-	tribromide anion
CHF₂⁺	difluoromethyl cation
CHFCl⁺	Chlorofluoromethyl cation
CHCl₂⁺	dichloromethyl cation
C₄⁺	Carbon tetramer cation
C₄H₂⁺	diacetlyene cation
C₂N₂⁺	Cyanogen cation
C₃H₃N⁺	acrylonitrile cation
C₃H₃N⁺	acrylonitrile cation
CH₃NHN₂⁺	methyl azide, protonated
(CH₃)₃NH⁺	protonated trimethyl amine
C₃H₇NH₃⁺	n-propylamine, protonated
CS₃^--	Carbonotrithioate
NO₃⁺	nitrogen trioxide cation
SO₃^--	Sulfate dianion
SO₃⁺	Sulfur trioxide cation
HCO₃^-	bicarbonate anion
NH₂COOH₂⁺	Carbamic acid, O-protonated
NH₃COOH⁺	protonated Carbamic acid
CH₅N₂O⁺	urea, N-protonated
H₂NCOHNH₂⁺	urea, protonated
CH₃COCH₃^-	acetone anion
CF₂O⁺	Carbonic difluoride cation
BF₃^-	Borane, trifluoro- anion
BF₃⁺	boron trifluoride cation
BF₃⁺	boron trifluoride cation
BCl₃⁺	Boron Trichloride cation
NF₃H⁺	protonated nitrogen trifluoride
CH₂ClCH₂OH₂⁺	2-chloroethanol, protonated
C₄H₆N⁺	pyrrole, alpha-protonated
C₄H₆N⁺	pyrrole, beta-protonated
C₄H₆N⁺	pyrrole, protonated
NC₄H₁₂⁺	tetramethyl ammonium cation
HSO₄^-	bisulfate anion
C₆H₇⁺	benzene, protonated
C₅H₆N⁺	Pyridinium
C₂O₄^--	oxalate anion
SiF₅^-	silicon pentafluoride anion
CF₃COO^-	trifluoro acetate anion

Computational Chemistry Comparison and Benchmark DataBase
Release 22	May 2022
NIST Standard Reference Database 101

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XX	H-bond dimers
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