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Computational Chemistry Comparison and Benchmark DataBase
Release 22May 2022
NIST Standard Reference Database 101
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I.B.1.b.2.

List of species

Jump to: Atoms hydrogen 1 heavy 2 heavies 3 heavies 4 heavies 5 heavies 6 heavies 7 heavies 8 heavies 9 heavies 10 or more heavies total
number of molecules 107 9 174 570 351 301 257 262 65 43 15 29 2186

ATOMS
Species Name Species Name Species Name
H Hydrogen atom H- Hydrogen atom anion H+ Hydrogen atom cation
D Deuterium atom D- Deuterium atom anion D+ Deuterium atom cation
He Helium atom He- Helium atom anion He+ Helium atom cation
Li Lithium atom Li- Lithium atom anion Li+ Lithium atom cation
Be Beryllium atom Be- Beryllium atom anion Be+ Beryllium atom cation
B Boron atom B- Boron atom anion B+ Boron atom cation
C Carbon atom C- Carbon atom anion C+ Carbon atom cation
N Nitrogen atom N- Nitrogen atom anion N+ Nitrogen atom cation
O Oxygen atom O- Oxygen atom anion O+ Oxygen atom cation
F Fluorine atom F- Fluorine atom anion F+ Fluorine atom cation
Ne Neon atom Ne- Neon atom anion Ne+ Neon atom cation
Na Sodium atom Na- Sodium atom anion Na+ Sodium atom cation
Mg Magnesium atom Mg- Magnesium atom anion Mg+ Magnesium atom cation
Al Aluminum atom Al- Aluminum atom anion Al+ Aluminum atom cation
Si Silicon atom Si- Silicon atom anion Si+ Silicon atom cation
P Phosphorus atom P- Phosphorus atom anion P+ Phosphorus atom cation
S Sulfur atom S- Sulfur atom anion S+ Sulfur atom cation
Cl Chlorine atom Cl- Chlorine atom anion Cl+ Chlorine atom cation
Ar Argon atom Ar- Argon atom anion Ar+ Argon atom cation
K Potassium atom K- Potassium atom anion K+ Potassium atom cation
Ca Calcium atom Ca- Calcium atom anion Ca+ Calcium atom cation
Sc Scandium atom Sc+ Scandium cation
Ti Titanium atom Ti- Titanium atom anion Ti+ Titanium atom cation
V Vanadium atom V+ Vanadium atom cation
Cr Chromium atom
Mn Manganese atom
Fe Iron atom
Co Cobalt atom
Ni Nickel atom
Cu Copper atom Cu- Copper atom anion Cu+ Copper atom cation
Zn Zinc atom Zn- Zinc atom anion Zn+ Zinc atom cation
Ga Gallium atom Ga- Gallium atom anion Ga+ Gallium atom cation
Ge Germanium atom Ge- Germanium anion Ge+ Germanium cation
As Arsenic atomic As- Arsenic anion As+ Arsenic cation
Se Selenium atom Se- Selenium atom anion Se+ Selenium atom cation
Br Bromine atom Br- Bromine atom anion Br+ Bromine atom cation
Kr Krypton atom Kr+ Krypton cation
Sn Tin atom Sn+ Tin cation
Sb Antimony atom
Te Tellurium atom Te+ Tellurium atom cation
I Iodine atom I- Iodine atom anion I+ Iodine atom cation
Xe Xenon atom
Jump to: Atoms hydrogen 1 heavy 2 heavies 3 heavies 4 heavies 5 heavies 6 heavies 7 heavies 8 heavies 9 heavies 10 or more heavies

0 HEAVY ATOMS

Species Name Species Name Species Name
H2 Hydrogen diatomic H2- hydrogen diatomic anion H2+ Hydrogen cation
D2 Deuterium diatomic
HD Deuterium hydride
H3+ hydrogen trimer cation
HeH Helium hydride HeH+ Helium hydride cation
He2+ helium diatomic cation
Jump to: Atoms hydrogen 1 heavy 2 heavies 3 heavies 4 heavies 5 heavies 6 heavies 7 heavies 8 heavies 9 heavies 10 or more heavies

1 HEAVY ATOM

Species Name Species Name Species Name
LiH Lithium Hydride LiH- lithium hydride anion LiH+ lithium hydride cation
HeLi+ Helium Lithium cation
BeH beryllium monohydride BeH- berylium monohydride anion BeH+ beryllium monohydride cation
BeH2 beryllium dihydride BeH2+ Beryllium dihydride cation
BH Boron monohydride BH- boron monohydride anion BH+ boron monohydride cation
BH2 boron dihydride BH2- boron dihydride anion BH2+ Boron dihydride cation
BH3 boron trihydride BH3- boron trihydride anion BH3+ boron trihydride cation
BH4 borohydride BH4- borohydride anion
CH Methylidyne CH- methylidyne anion CH+ Methylidyne cation
CH2 Methylene CH2- methylene anion CH2+ methylene cation
CH3 Methyl radical CH3- methyl anion CH3+ methyl cation
CH4 Methane CH4- Methane anion CH4+ Methane cation
CD4 methane-d4
CH3D methane-d
CH2D2 methane-d2
CHD3 methane-d3
NH Imidogen NH- Imidogen anion NH+ imidogen cation
NH2 Amino radical NH2- amino anion NH2+ Amino cation
ND2 Amidogen-d2
NH3 Ammonia NH3- Ammonia anion NH3+ ammonia cation
ND3 Ammonia-d3
NH4 Ammonium radical NH4+ ammonium cation
OH Hydroxyl radical OH- hydroxide anion OH+ hydoxyl cation
DO Hydroxyl-d
H2O Water H2O- water anion H2O+ water cation
D2O Deuterium oxide
HDO Water-d1
H3O+ hydronium cation
HF Hydrogen fluoride HF- hydrogen fluoride anion HF+ hydrogen fluoride cation
DF Hydrofluoric acid-d
H2F+ dihydrogen fluoride cation
NeH neon hydrogen NeH+ neon hydrogen cation
NaH sodium hydride NaH- sodium hydride anion NaH+ sodium hydride cation
MgH magnesium monohydride MgH- magnesium monohydride anion MgH+ magnesium monohydride cation
MgH2 magnesium dihydride
AlH aluminum monohydride AlH- aluminum monohydride anion AlH+ aluminum monohydride cation
AlH2 aluminum dihydride AlH2- aluminum dihydride anion AlH2+ aluminum dihydride cation
AlH3 aluminum trihydride AlH3- aluminum trihydride anion AlH3+ aluminum trihydride cation
AlH4- Aluminum tetrahydride anion
SiH Silylidyne SiH- silicon monohydride anion SiH+ silicon monohydride cation
SiH2 silicon dihydride SiH2- silicon dihydride anion SiH2+ silicon dihydride cation
SiH3 Silyl radical SiH3- Silyl anion SiH3+ Silyl cation
SiH4 Silane SiH4+ Silane cation
SiH2D2 silane-d2
SiH5+ Silane, protonated
PH phosphorus monohydride PH- phosphorus monohydride anion PH+ phosphorus monohydride cation
PH2 Phosphino radical PH2- Phosphino anion PH2+ Phosphino cation
PH3 Phosphine PH3+ Phosphine cation
PH4 Phosphoranyl radical PH4+ phosphonium cation
DS Mercapto-d
HS Mercapto radical HS- mercapto anion HS+ sulfur monohydride cation
H2S Hydrogen sulfide H2S- Hydrogen sulfide anion H2S+ Hydrogen sulfide cation
D2S Hydrogen sulfide-d2
H3S+ Sulfonium cation
HCl Hydrogen chloride HCl- hydrogen chloride anion HCl+ hydrogen chloride cation
DCl Hydrochloric acid-d
H2Cl+ dihydrogen monochloride cation
ArH+ Argon hydride cation
H2Ar H2 Ar dimer
KH Potassium hydride KH+ Potassium hydrogen cation
CaH Calcium monohydride CaH+ Calcium monohydride cation
CaH2 Calcium Hydride
ScH Scandium monohydride ScH+ Scandium monohydride cation
ScH3 Scandium trihydride
TiH Titanium monohydride
CrH Chromium hydride CrH+ Chromium hydride cation
CuH Copper monohydride
ZnH Zinc monohydride ZnH+ Zinc, protonated
ZnH2 Zinc hydride
GaH Gallium monohydride GaH+ Gallium monohydride cation
GaH3 Gallium trihydride
GeH germylidene GeH+ Germaniun monohyrdide cation
GeH2 germylene GeH2- germylene anion
GeH3 Germyl radical GeH3+ germyl cation
GeH4 Germane
AsH Arsenic monohydride AsH+ Arsenic monohydride cation
AsH2 Arsenic dihydride AsH2+ Arsenic dihydride cation
AsH3 Arsine AsH3+ Arsine cation
AsH4+ Arsonium
HSe Selenium monohydride HSe- selenium monohydride anion HSe+ selenium monohydride cation
H2Se Hydrogen selenide H2Se+ Hydrogen selenide cation
H3Se+ Hydrogen Selenide, protonated
HBr hydrogen bromide HBr- hydrogen bromide anion HBr+ hydrogen bromide cation
H2Br+ protonated hydrogen bromide
KrH+ Protonated Krypton
SnH4 Stannane
SbH Antimony monohydride
SbH3 Stibine
TeH Telluryl radical
H2Te Hydrogen Telluride
HI Hydrogen iodide HI+ Hydrogen iodide cation
H2I+ Iodonium
XeH+ Xenon, protonated
Jump to: Atoms hydrogen 1 heavy 2 heavies 3 heavies 4 heavies 5 heavies 6 heavies 7 heavies 8 heavies 9 heavies 10 or more heavies

2 HEAVY ATOMS

Species Name Species Name Species Name
Li2 Lithium diatomic Li2- lithium diatomic anion Li2+ lithium diatomic cation
LiBe Lithium Beryllium
Be2 Beryllium diatomic Be2- Beryllium diatomic anion Be2+ Beryllium diatomic cation
LiB Lithium boride
BeB Beryllium monoboride
B2 Boron diatomic B2- Boron diatomic anion B2+ Boron diatomic cation
HBBH Diborane(2)
LiBH4 Lithium borohydride
HBHHBH Diborane(4) C2V
B2H4 Diborane(4) D2d
B2H6 Diborane B2H6+ Diborane cation
LiC Lithium Carbide
BeC Beryllium Carbide
BC boron monocarbide BC- boron monocarbide anion BC+ boron monocarbide cation
C2 Carbon diatomic C2- carbon diatomic anion C2+ carbon diatomic cation
C2H Ethynyl radical C2H- Ethynyl anion C2H+ Ethynyl cation
C2H2 Acetylene C2H2+ acetylene cation HCCH- acetylene anion
CCH2 vinylidene H2CC- vinylidene anion
CH3Li methyl lithium
CH2BH methyleneborane
C2H3 vinyl C2H3- vinyl anion C2H3+ vinyl cation
C2H4 Ethylene C2H4- Ethylene anion C2H4+ Ethylene cation
CH3CH methylmethylene
CH3BH2 methylborane
C2H5 Ethyl radical C2H5- Ethyl anion C2H5+ Ethyl cation
C2H6 Ethane C2H6+ ethane cation
C2H7+ Ethane, protonated
LiN Lithium Nitride LiN+ Lithium Nitride cation
BeN Beryllium mononitride BeN- Beryllium mononitride anion BeN+ Beryllium mononitride cation
BN boron nitride BN- boron nitride anion BN+ boron nitride cation
CN Cyano radical CN- cyanide anion CN+ Cyano cation
N2 Nitrogen diatomic N2- nitrogen diatomic anion N2+ diatomic nitrogen cation
HNB hydrogen nitrogen boron
HCN Hydrogen cyanide HCN- Hydrogen cyanide anion HCN+ hydrogen cyanide cation
HNC hydrogen isocyanide HNC+ hydrogen isocyanide cation
NNH Dinitrogen monohydride NNH+ Dinitrogen monohydride cation
LiNH2 lithium amide
HBNH Boranimine
H2CN Dihydrogen cyanide radical H2CN+ hydrocyanonium cation
CNH2 Aminomethylidyne radical CNH2+ N-protonated hydrogen isocyanide
HCNH methyleneazane HCNH+ N-protonated HCN
N2H2 (Z)-Diazene
N2H2 (E)-diazene N2H2+ trans-diazene cation
H2NN Isodiazene
CH2NH Methanimine CH2NH+ Methanimine cation
CHNH2 aminomethylene CHNH2+ Aminocarbene cation
BH2NH2 Boranamine
CH2NH2+ methyleneamine cation
N2H4 Hydrazine N2H4+ hydrazine cation
CH3NH2 methyl amine CH3NH2+ methyl amine cation
N2H5+ protonated hydrazine
BH3NH3 borane ammonia
CH3NH3 methyl ammonium radical CH3NH3+ protonated methylamine
NH3NH3 Ammonia Dimer
N2H7+ ammonia ammonium dimer
LiO lithium oxide LiO- lithium oxide anion LiO+ lithium oxide cation
BeO beryllium oxide BeO- Beryllium monoxide anion BeO+ Beryllium monoxide cation
BO boron monoxide BO- boron monoxide anion BO+ boron monoxide cation
CO Carbon monoxide CO- carbon monoxide anion CO+ carbon monoxide cation
NO Nitric oxide NO- nitric oxide anion NO+ nitric oxide cation
O2 Oxygen diatomic O2- oxygen diatomic anion O2-- dioxygen dianion O2+ diatomic oxygen cation
LiOH lithium hydroxide
BeOH beryllium monohydroxide
HBO Boron hydride oxide
HCO Formyl radical HCO- formyl anion HCO+ Formyl cation
COH Hydroxymethylidyne COH+ Carbon Monoxide, protonated
HNO Nitrosyl hydride HNO- Nitrosyl hydride anion HNO+ Nitrosyl hydride cation
NOH Hydroxyimidogen NOH+ O-protonated nitric oxide
HO2 Hydroperoxy radical HO2- Hydroperoxy anion HO2+ Hydroperoxy cation
H2CO Formaldehyde H2CO- formaldehyde anion H2CO+ formaldehyde cation
HOCH hydroxycarbene
H2NO nitroxide
H2O2 Hydrogen peroxide H2O2+ Hydrogen peroxide cation
H2OO water oxide
CH3O Methoxy radical CH3O- methoxy anion CH3O+ Methoxy cation
CH2OH Hydroxymethyl radical CH2OH+ hydroxymethyl cation
NH2OH hydroxylamine NH2OH+ Hydroxylamine cation
NH3O Ammonia Oxide
H3O2+ hydrogen peroxide, protonated
CH3OH Methyl alcohol CH3OH- Methyl alcohol anion CH3OH+ Methyl alcohol cation
NH3OH+ N-protonated hydroxylamine
NH2OH2+ protonated hydroxylamine
H2OH2O water dimer
CH3OH2+ Methanol, protonated
H2ONH3 Water Ammonia Dimer
H5O2+ Dihydroxonium ion
LiF lithium fluoride LiF- lithium fluoride anion LiF+ lithium fluoride cation
BeF Beryllium monofluoride BeF- Beryllium monofluoride anion BeF+ Beryllium monofluoride cation
BF Boron monofluoride BF- Boron monofluoride anion BF+ Boron monofluoride cation
CF Fluoromethylidyne CF- carbon monofluoride anion CF+ carbon monofluoride cation
NF nitrogen fluoride NF- nitrogen monofluorine anion NF+ nitrogen monofluoirde cation
FO Oxygen monofluoride FO- flourine oxide anion FO+ fluorine monoxide cation
F2 Fluorine diatomic F2- flourine diatomic anion F2+ flourine diatomic cation
HCF Fluoromethylene
HOF Hypofluorous acid
F2H+ Fluorine, protonated
FHF Hydrogen difluoride FHF- Hydrogen difluoride anion
CH2F fluoromethyl radical CH2F+ fluoromethyl cation
NH2F monofluoroamine
H2F2 Hydrogen fluoride dimer
CH3F+ methyl fluoride cation
CD3F methylfluoride-d3
CH3F Methyl fluoride
LiNe+ Lithium Neon cation
Ne2 Neon diatomic Ne2+ Neon diatomic cation
NaLi lithium sodium NaLi- lithium sodium anion NaLi+ lithium sodium cation
Na2 Sodium diatomic Na2- sodium diatomic anion Na2+ sodium diatomic cation
NaBe Sodium Beryllium
NaO sodium monoxide NaO- sodium oxide anion NaO+ sodium oxide cation
NaF sodium fluoride NaF- sodium fluoride anion NaF+ sodium fluoride cation
NaOH sodium hydroxide
LiMg Lithium magnesium
NaMg Sodium Magnesium
Mg2 Magnesium diatomic Mg2- magnesium diatomic anion Mg2+ magnesium diatomic cation
BeMg Beryllium Magnesium
MgN Magnesium Nitride
MgO magnesium oxide MgO- magnesium oxide anion MgO+ magnesium oxide cation
MgF Magnesium monofluoride MgF- magnesium fluoride anion MgF+ magnesium fluoride cation
MgOH magnesium hydroxide
LiAl Lithium Aluminum
NaAl Sodium aluminum
BAl Boron Aluminum
Al2 Aluminum diatomic Al2- aluminum diatomic anion Al2+ aluminum diatomic cation
AlC Aluminum carbide
AlN Aluminum nitride AlN- aluminum mononitride anion AlN+ aluminum mononitride cation
AlO Aluminum monoxide AlO- Aluminum monoxide anion AlO+ aluminum monoxide cation
AlF Aluminum monofluoride AlF- Aluminum monofluoride anion AlF+ Aluminum monofluoride cation
Al2H6 dialane
BSi Boron silicide
SiC silicon monocarbide SiC- silicon monocarbide anion SiC+ silicon monocarbide cation
Si2 Silicon diatomic Si2- silcon diatomic anion Si2+ silcon diatomic cation
SiN Silicon nitride SiN- silicon mononitride anion SiN+ silicon mononitride cation
SiO Silicon monoxide SiO- silicon monoxide anion SiO+ silicon monoxide cation
SiF silicon monofluoride SiF- silicon monofluoride anion SiF+ silicon monofluoride cation
HSiF fluorosilylene
Si2H2 disilyne
SiH3F monofluorosilane
Si2H4 Disilene
CH2SiH2 silaethylene
SiH3OH silanol
SiH3NH2 Silane, amino
CH3SiH3 methyl silane
Si2H6 disilane
LiP Lithium monophosphide
BP Boron monophosphide
AlP Aluminum monophosphide
SiP Silicon monophosphide SiP- Silicon monophosphide anion SiP+ Silicon monophosphide cation
CP Carbon monophosphide CP- carbon monophosphide anion CP+ carbon monophosphide cation
P2 Phosphorus diatomic P2- phosphorus diatomic anion P2+ phosphorus diatomic cation
PN Phosphorus mononitride PN- phosphorus nitride anion PN+ phosphorus nitride cation
PO Phosphorus monoxide PO- phosphorus monoxide anion PO+ phosphorus monoxide cation
PF phosphorus monofluoride PF- phosphorus monofluoride anion PF+ phosphorus monofluoride cation
HCP Phosphaethyne HCP+ Phosphaethyne cation
HPO Hydrogen phosphorus oxide HPO+ Hydrogen phosphorus oxide cation
CH2PH Phosphaethene
H3PO Phosphine oxide
H2POH Phosphinous acid
P2H4 Diphosphine
CH3PH2 Methyl phosphine
BH3PH3 borane phosphine
CH3PH3+ methyl phosphine, protonated
LiS Lithium monosulfide LiS+ Lithium sulfide cation
NaS Sodium sulfide
MgS magnesium sulfide MgS- magnesium sulfide anion MgS+ magnesium sulfide cation
BeS beryllium sulfide BeS- Beryllium monosulfide anion BeS+ Beryllium monosulfide cation
BS boron sulfide BS- boron monosulfide anion BS+ boron monosulfide cation
AlS Aluminum sulfide AlS- aluminum monosulfide anion AlS+ aluminum monosulfide cation
CS carbon monosulfide CS- carbon monosulfide anion CS+ carbon monosulfide cation
SiS silicon monosulfide SiS- silicon monosulfide anion SiS+ silicon monosulfide cation
NS Mononitrogen monosulfide NS- nitrogen sulfide anion NS+ nitrogen sulfide cation
PS phosphorus sulfide PS- phosphorus monosulfide anion PS+ phosphorus monosulfide cation
SO Sulfur monoxide SO- sulfur monoxide anion SO+ sulfur monoxide cation
S2 Sulfur diatomic S2- sulfur diatomic anion S2+ sulfur diatomic cation
SF Monosulfur monofluoride SF- sulfur monofluoride anion SF+ sulfur monofluoride cation
HBS hydrogen boron sulfide
HCS Thioformyl radical HCS- Thioformyl anion HCS+ Thioformyl cation
HNS Sulfur imide HNS- Sulfur imide anion
HS2 Thiosulfeno radical
HSO+ Sulfur Monoxide, S-protonated
SOH Sulfur Hydroxide SOH+ Sulfur Monoxide, protonated
H2CS Thioformaldehyde H2CS- thioformaldehyde anion H2CS+ thioformaldehyde cation
H2S2 Disulfane H2S2+ hydrogen disulfide cation
HOSH hydrogen thioperoxide
CH3S thiomethoxy
H2CSH+ Thioformaldehyde, protonated
NH2SH Thiohydroxylamine
NH3S sulfidoazane
CH3SH Methanethiol CH3SH+ Methanethiol cation
CH3SH2+ protonated methylsulfide
LiCl lithium chloride LiCl- lithium chloride anion LiCl+ lithium chloride cation
NaCl Sodium Chloride NaCl- sodium chloride anion NaCl+ sodium chloride cation
BeCl beryllium monochloride BeCl- beryllium monochloride anion BeCl+ beryllium monochloride cation
MgCl magnesium monochloride MgCl- magnesium monochloride anion MgCl+ magnesium monochloride cation
AlCl Aluminum monochloride AlCl- aluminum monochloride anion AlCl+ aluminum monochloride cation
BCl boron monochloride BCl- boron monochloride anion BCl+ boron monochloride cation
CCl carbon monochloride CCl- carbon monochloride anion CCl+ carbon monochloride cation
SiCl Clorosilylidyne SiCl- silicon monochloride anion SiCl+ silicon monochloride cation
NCl nitrogen monochloride NCl- nitrogen monochloride anion NCl+ nitrogen monochloride cation
PCl phosphorus chloride PCl- phosphorus monochloride anion PCl+ phosphorus monochloride cation
ClO Monochlorine monoxide ClO- chlorine monoxide anion ClO+ chlorine monoxide cation
SCl sulfur monochloride SCl- sulfur monochloride anion SCl+ sulfur monochloride cation
Cl2 Chlorine diatomic Cl2- chlorine diatomic anion Cl2+ chlorine diatomic cation
ClF Chlorine monofluoride ClF- clorine monofluoride anion ClF+ clorine monofluoride cation
HCCl Chloromethylene
HSiCl Chlorosilylene
HOCl hypochlorous acid HOCl+ hypochlorous acid cation
DOCl Hypochlorous acid-d
Cl2H+ Chlorine, protonated
ClFH+ Chlorine fluoride, F-protonated
FClH+ Chlorine fluoride, Cl-protonated
CH2Cl+ chloromethyl cation
NH2Cl chloramine
NH2Cl Chloramide
CH3Cl Methyl chloride CH3Cl+ Methyl chloride cation
CD3Cl methyl chloride d3
SiH3Cl chlorosilane
NH3Cl+ protonated monochloroammonia
CH3ClH+ methyl chloride, protonated
NH4Cl Ammonium chloride
Ar2 Argon diatomic Ar2+ Argon diatomic cation
LiK Lithium Potassium
NaK Sodium Potassium NaK+ Sodium Potassium diatomic cation
K2 Potassium diatomic
KO Potassium monoxide KO+ Potassium monoxide cation
KCl Potassium Chloride
KF Potassium Fluoride
KOH Potassium hydroxide
KOH2+ Potassium hydroxide, protonated
Ca2 Calcium diatomic
CaC Calcium monocarbide
CaO Calcium monoxide
CaS Calcium sulfide
CaF Calcium monofluoride
CaCl calcium monochloride
CaOH Calcium monohydroxide
ScO Scandium monoxide
ScF Scandium monofluoride
TiN Titanium mononitride
TiO Titanium monoxide
TiCl Titanium Monochloride
VO Vanadium monoxide
Cu2 Copper diatomic
CuO Copper Monoxide
CuCl Copper monochloride
CuF Copper monofluoride
CuCH3 monomethyl copper
ZnO zinc monoxide
ZnS Zinc sulfide
ZnF Zinc monofluoride ZnF- Zinc monofluoride anion ZnF+ Zinc monofluoride cation
ZnCl Zinc monochloride
ZnCH2 Zinc methylene
ZnCH3 Zinc monomethyl
AlGa Aluminum Gallium
Ga2 Gallium diatomic
BGa Boron Gallium
GaP Gallium monophosphide
GaN Gallium mononitride
GaO Gallium monoxide
GaS Gallium monosulfide
GaF Gallium monofluoride GaF+ Gallium monofluoride cation
GaCl Gallium monochloride GaCl+ Gallium monochloride cation
Ga2H6 digallane
GeC Germanium monocarbide
Ge2 Germanium diatomic
SiGe Silicon Germanium
GeS Germanium monosulfide
GeO Germanium monoxide GeO+ Germanium monoxide cation
GeCl Germanium monochloride GeCl+ Germanium monochloride cation
GeF Germanium monofluoride GeF+ Germanium monofluoride cation
GeH3F monofluorogermane
GeH3Cl monochlorogermane
GeH3CH3 methyl germane
GaAs Gallium arsenide
AsP Arsenic monophosphide
As2 Arsenic diatomic
AsN Arsenic mononitride
AsO Arsenic monoxide
AsS Arsenic monosulfide
AsF Arsenic monofluoride
AsCl Arsenic monochloride
LiSe Lithium monoselenide
GeSe Germanium monoselenide
SiSe Silicon Monoselenide SiSe+ Silicon Monoselenide cation
CSe Carbon monoselenide CSe- Carbon monoselenide anion CSe+ Carbon monoselenide cation
AsSe Arsenic monoselenide
NSe Nitrogen monoselenide
PSe Phosphorus monoselenide
SeS Selenium monosulfide SeS- selenium monosulfide anion SeS+ selenium monosulfide cation
Se2 Selenium diatomic Se2- selenium diatomic anion Se2+ selenium diatomic cation
SeO Selenium monoxide SeO- selenium monoxide anion SeO+ selenium monoxide cation
SeF Selenium monofluoride
SeCl Selenium monochloride
H2CSe Selenoformaldehyde
H2Se2 hydrogen diselenide
CH3SeH Methane selenol
LiBr Lithium Bromide LiBr- lithium bromide anion LiBr+ lithium bromide cation
NaBr Sodium Bromide NaBr- sodium bromide anion NaBr+ sodium bromide cation
KBr Potassium Bromide
CaBr Calcium monobromide
BBr Boron monobromide
AlBr Aluminum monobromide
GaBr Gallium monobromide
CBr Carbon monobromide
SiBr Silicon monobromide SiBr+ Silicon monobromide cation
NBr nitrogen monobromide
PBr Phosphorus monobromide
SeBr Selenium monobromide
BrO Bromine monoxide BrO- Bromine monoxide anion BrO+ Bromine monoxide cation
SBr Sulfur monobromide radical SBr+ Sulfur monobromide cation
Br2 Bromine diatomic Br2- bromine diatomic anion Br2+ bromine diatomic cation
BrCl Bromine monochloride BrCl- bromine chloride anion BrCl+ bromine chloride cation
BrF Bromine monofluoride BrF- bromine fluoride anion BrF+ bromine fluoride cation
HSiBr monobromosilylene
CHBr bromomethylene
HOBr Hypobromous acid HOBr+ Hypobromous acid cation
CH2Cl chloromethyl radical
CH2Br bromomethyl radical
CH3Br methyl bromide
SiH3Br bromosilane
SbN Antimony nitride
SbCl Antimony monochloride
SbF Antimony monofluoride
Te2 Tellurium diatomic
TeO Tellurium monoxide
KI Potassium Iodide
NaI Sodium Iodide
LiI Lithium Iodide
AlI Aluminum monoiodide
IO Iodine monoxide
I2 Iodine diatomic I2+ Iodine diatomic cation
IBr Iodine monobromide
ICl Iodine monochloride
IF Iodine monofluoride
HOI Hypoiodous acid
CH3I methyl iodide
SiH3I Silyl Iodide
Jump to: Atoms hydrogen 1 heavy 2 heavies 3 heavies 4 heavies 5 heavies 6 heavies 7 heavies 8 heavies 9 heavies 10 or more heavies

3 HEAVY ATOMS

Species Name Species Name Species Name
Li3 Lithium trimer Li3+ Lithium trimer cation
C3 carbon trimer C3+ carbon trimer cation
C3H3 Propargyl radical C3H3- Propargyl anion C3H3+ Propargyl cation
C3H3 cyclopropenyl radical C3H3+ cyclopropenyl cation
CH3CCH propyne
CH2CCH2 allene
C3H4 cyclopropene
C3H5 Allyl radical C3H5+ Allyl cation
CH3CHCH 1-propenyl radical
C3H6 Cyclopropane
CH2CHCH3 Propene
CH3CHCH3 Isopropyl radical CH3CHCH3+ Isopropyl cation
C3H7 n-Propyl radical C3H7+ n-propyl cation
C3H7+ cyclopropane, protonated
C3H8 Propane
LiCN lithium cyanide
NCN Cyanoimidogen
CNN Diazocarbene
CN2 3H-Diazirin-3-ylidene
N3 azide radical N3- azide anion N3+ azide cation
HCCN cyanomethylene
HCNN diazomethyl radical
HN3 hydrogen azide HN3+ Hydrazoic acid cation
HNCNH diiminomethane
CH2N2 diazirine
CH2NN diazomethane
NH2CN cyanamide
NH2NN+ hydrazoic acid, protonated
HNNNH+ 1,2-Triazadienium
CH3CN Acetonitrile CH3CN- acetonitrile anion CH3CN+ Acetonitrile cation
CHNCH2 2H-Azirine HCNCH2+ 2H-Azirine cation
CHNHCH 1H-Azirine
CH3NC methyl isocyanide
H2CCNH Ethenimine
HCCNH2 Ethynamine
H2CNCH methyleneaminomethylene
NCNH3+ Cyanamide, protonated
HNCNH2+ diiminomethane, protonated
NH3CN+ cyanamide, amine protonated
NH2CNH+ cyanamide, cn protonated
CH3CHN methylmethaniminyl radical
CH2CHNH vinylazine
NHCHNH2 aminomethanimine
C2H5N Aziridine
CH2CHNH2 aminoethene
CH2NCH3 N-methylmethanimine
NH2BHNH2 diaminoborane
CH3CHNH ethanimine
C2H5NH+ Protonated Aziridine
C2H6N+ aziridine, protonated
NH2CH2NH2 diaminomethane
CH3CH2NH2 Ethylamine
CH3NHCH3 Dimethylamine
NH2CH2NH3+ diaminoethane, protonated
(CH3)2NH2+ dimethylammonium cation
CH3CH2NH3+ ethylamine, protonated
Li2O dilithium oxide Li2O+ dilithium oxide cation
LiO2 Lithium dioxide
CCO Dicarbon monoxide
BO2 Boron dioxide BO2- Boron dioxide anion BO2+ Boron dioxide cation
NCO isocyanato radical NCO- cyanate
CNO- fulminate
CO2 Carbon dioxide CO2- Carbon dioxide anion CO2+ Carbon dioxide cation
N2O Nitrous oxide N2O- Nitrous oxide anion N2O+ Nitrous oxide cation
NO2 Nitrogen dioxide NO2- Nitrogen dioxide anion NO2+ Nitrogen dioxide cation
O3 Ozone O3- Ozone anion O3+ Ozone cation
LiO2 Lithium dioxide
HCCO ketenyl radical
HNCO Isocyanic acid
HOCN cyanic acid
HCNO fulminic acid
HOCO Hydrocarboxyl radical HOCO+ Hydrocarboxyl cation
HCOO formate neutral radical
HCO2- formate anion
NNOH+ Nitrous Oxide, O-protonated
HNNO nitrosoazane HNNO+ Nitrous oxide, N-protonated
HNO2 Nitrous acid HNO2+ nitrous acid cation
O3H+ protonated ozone
C2H2O Oxirene
CH2CO Ketene CH2CO+ Ketene cation
Be(OH)2 Beryllium hydroxide
HCCOH ethynol
HCOOH Formic acid
CH2O2 Dioxirane
NH2NO Nitrosamide
H2COO Dioxymethyl radical H2COO+ dioxymethyl cation
H2O3 Hydrogen trioxide
BH3CO Borane carbonyl
CH3BO Borane, methyloxo-
CH2BOH hydroxy(methylene)borane
CH3CO Acetyl radical CH3CO- Acetyl anion CH3CO+ acetyl cation
CH2CHO Vinyloxy radical
CH2COH+ ketene, protonated
CHONH2 formamide
CH2NOH formaldoxime
CH3NO nitrosomethane
CNOH3 1,2-oxaziridine
HOCHNH hydroxymethylimine
CH3OO methylperoxy radical CH3OO- methylperoxy anion CH3OO+ methylperoxy cation
CH2OOH CH2OOH radical
CH3CHO Acetaldehyde CH3CHO+ acetaldehyde cation
C2H4O Ethylene oxide C2H4O+ ethylene oxide cation
CH2CHOH ethenol
H2COCH2+ Methyl, (methyleneoxoniumyl)-
H2CONH2+ protonated formamide
NH3CHO+ Formamide, N-Protonated
NH2CHOH+ Formamide, O-protonated
H2OH2CO water formaldehyde dimer
CH2(OH)2 methanediol
CH3OOH Methyl peroxide
CH3CH2O Ethoxy radical
CH3CHOH 1-hydroxy-ethyl radical CH3CHOH+ acetaldehyde, protonated
CH2CH2OH 2-hydroxy ethyl radical
C2H4OH+ ethylene oxide, protonated
CH3OCH2 methoxymethyl radical
NH2CH2OH aminomethanol
CH3CH2OH Ethanol
CH3OCH3 Dimethyl ether
H2OCH3OH water methanol dimer
CH3OHH2O methanol water dimer
FCN Cyanogen fluoride
BeF2 Beryllium fluoride
FBO Boron monofluoride monoxide
CNF iso cyanogen fluoride
FCO Carbonyl fluoride FCO+ Carbonyl fluoride cation
BF2 Boron difluoride radical
CF2 Difluoromethylene CF2- Difluoromethylene anion CF2+ Difluoromethylene cation
FNO Nitrosyl fluoride
NF2 Difluoroamino radical NF2+ Difluoroamino cation
FOO Dioxygen monofluoride radical FOO+ Fluorine dioxide cation
F2O Difluorine monoxide
F3- trifluoride anion
HCCF Fluoroacetylene HCCF+ fluoroacetylene cation
HFCO formyl fluoride HFCO+ formyl fluoride cation
BHF2 Difluoroborane
CHF2 difluoromethyl radical CHF2+ difluoromethyl cation
NHF2 difluoramine
CH2F2 Methane, difluoro-
CH2CHF Ethene, fluoro- CH2CHF+ fluoroethene cation
CH2FOH fluoromethanol
C2H5F fluoroethane
NaCN Sodium Cyanide
Na2O disodium monoxide
NaO2 Sodium superoxide
NaOCH3 Sodium methoxide
MgF2 Magnesium fluoride
Mg(OH)2 Magnesium dihydroxide
AlCN Aluminum monocyanide
AlNC Aluminum isocyanide
SiC2 Silicon dicarbide
SiO2 silicon dioxide
SiF2 Silicon difluoride SiF2+ Silicon difluoride cation
SiH2F2 difluorosilane
CH3SiFH2 fluoromethylsilane
SiH2(CH3)2 dimethylsilane
Si3H8 trisilane
PPO Phosphorus oxide phosphide
PO2 Phosphorus dioxide PO2- Phosphorus dioxide anion PO2+ Phosphorus dioxide cation
PF2 Phosphorus difluoride PF2+ Phosphorus difluoride cation
CH3PHCH3 dimethylphosphine
Na2S Sodium sulfide
Li2S dilithium sulfide
SCN thiocyanato radical SCN- thiocyanide anion
CS2 Carbon disulfide CS2- Carbon disulfide anion CS2+ Carbon disulfide cation
OCS Carbonyl sulfide OCS+ Carbonyl sulfide cation
SiS2 Silicon disulfide
NNS Nitrogen sulfide
SNO Nitrogen oxide sulfide
NSO sulfinyl amidogen
SO2 Sulfur dioxide SO2- Sulfur dioxide anion SO2+ Sulfur dioxide cation
S3 Sulfur trimer S3- Sulfur trimer anion S3+ Sulfur trimer cation
SSO Disulfur monoxide
FNS Thionitrosyl fluoride
FSN Thiazyl fluoride
SF2 sulfur difluoride SF2- sulfur difluoride anion SF2+ sulfur difluoride cation
CS2H+ Carbon disulfide, protonated
HSCN thiocyanic acid
HNCS Isothiocyanic acid
SO2H+ protonated sulfur dioxide
CH2CS Thioketene
HSSSH trisulfane
CHSNH2 thioformamide
NHCHSH Methanimidothioic acid
C2H4S Thiirane
CH2CHSH Ethenethiol
CH3CHS Thioacetaldehyde
CH3SSH Hydrogen methyl disulfide
HSCH2SH Methanedithiol
CH3CH2SH ethanethiol
CH3SCH3 Dimethyl sulfide CH3SCH3+ dimethyl sulfide cation
ClCN chlorocyanogen
MgCl2 Magnesium dichloride
BeCl2 Beryllium chloride
ClCO carbonyl monochloride
CCl2 dichloromethylene CCl2- dichloromethylene anion CCl2+ dichloromethylene cation
CFCl chlorofluoromethylene
ClNO Nitrosyl chloride
SiCl2 Dichlorosilylene
OPCl Phosphorus oxychloride
OClO Chlorine dioxide OClO- Chlorine dioxide anion OClO+ Chlorine dioxide cation
ClOO chloroperoxy radical ClOO+ chloroperoxy cation
ClS2 Sulfur chloride
ClSO Sulfur chloride oxide
Cl2O Dichlorine monoxide
SCl2 Sulfur dichloride
FClO chlorosyl fluoride
ClOF Chlorine hypofluorite
Cl3- trichloride anion
SFCl Sulfur chloride fluoride
HCCCl Chloroacetylene
COHCl Formyl chloride
BHCl2 Borane, dichloro-
CHCl2 dichloromethyl radical CHCl2+ dichloromethyl cation
CHFCl Chlorofluoromethyl radical CHFCl+ Chlorofluoromethyl cation
NHCl2 dichloroamine
HOClO Chlorous acid
CH2Cl2 Methylene chloride
CH2FCl fluorochloromethane
SiH2Cl2 dichlorosilane
C2H3Cl Ethene, chloro-
CH3OCl methyl hypochlorite
CH2CH2Cl 2-chloroethyl radical
CHClCH3 1-chloroethyl radical
CH3CH2Cl Ethyl chloride
KCN Potassium cyanide
CaF2 Calcium difluoride
CaCl2 Calcium Chloride
TiO2 Titanium dioxide
CuCN Copper cyanide
CuF2 Copper difluoride
ZnCN Zinc monocyanide
ZnNC Zinc isocyanide
ZnCl2 Zinc dichloride
ZnF2 Zinc difluoride
Zn(CH3)2 dimethyl zinc
GeO2 Germanium dioxide
GeS2 Germanium disulfide
GeCl2 Germanium dichloride
GeF2 Germanium difluoride
AsO2 Aresenic dioxide
CSe2 Carbon diselenide
OCSe Carbonyl selenide
SCSe Carbon sulfide selenide
SeO2 Selenium dioxide SeO2+ Selenium dioxide cation
SeCl2 Selenium Dichloride
SeF2 Selenium difluoride
CH3SeCH3 dimethylselenide
BrCN Cyanogen bromide
BeBr2 Beryllium bromide
CaBr2 Calcium dibromide
CBr2 dibromomethylene
BrNO Nitrosyl bromide
OBrO Bromine dioxide radical
BrOO Bromine dioxide
BrOCl Bromine hypochlorite
SBr2 Sulfur dibromide
BrOBr Bromine oxide
SeBr2 Selenium dibromide
Br3- tribromide anion
HCCBr bromoacetylene
COHBr Formyl bromide
CHBr2 dibromomethyl radical
CH2Br2 dibromomethane
CH2BrCl Methane, bromochloro-
CH2BrF Methane, bromofluoro-
CH3MgBr Methyl Magnesium Bromide
C2H3Br vinyl bromide
C2H5Br Ethyl bromide
KrF2 Krypton difluoride
SCTe Carbon sulfide Telluride
TeO2 Tellurium Dioxide
ICN Cyanogen iodide
INO Nitrosyl iodide
I3- triiodide
CH2I2 Diiodomethane
CH2FI fluoroiodomethane
CH2BrI bromoiodomethane
CH2ClI chloroiodomethane
C2H3I Vinyl iodide
C2H5I Ethyl iodide
XeF2 Xenon difluoride
Jump to: Atoms hydrogen 1 heavy 2 heavies 3 heavies 4 heavies 5 heavies 6 heavies 7 heavies 8 heavies 9 heavies 10 or more heavies

4 HEAVY ATOMS

Species Name Species Name Species Name
B4H10 Tetraborane(10)
C4 Carbon tetramer C4+ Carbon tetramer cation
C4H2 Diacetylene C4H2+ diacetlyene cation
C4H4 Tetrahedrane
C2H3CCH 1-Buten-3-yne
C4H4 cyclobutadiene
H2CCCCH2 Butatriene
CH2CHCHCH2 1,3-Butadiene
CHCCH2CH3 1-Butyne
CH3CCCH3 2-Butyne
CH2CCHCH3 1,2-Butadiene
C4H6 Cyclobutene
C4H6 1-Methylcyclopropene
C4H6 Methylenecyclopropane
C4H6 Bicyclo[1.1.0]butane
CH3CHCHCH2 methylallyl radical
CH2CHCH2CH3 1-Butene
CH2C(CH3)CH3 1-Propene, 2-methyl-
CH3CHCHCH3 2-Butene, (Z)-
C4H8 methylcyclopropane
CH3CHCHCH3 2-Butene, (E)-
C4H8 cyclobutane
B(CH3)3 trimethylborane
C(CH3)3 Tert-butyl radical
CH3CHCH2CH3 2-Butyl radical
CH2CH(CH3)2 Isobutyl radical
CH3CH(CH3)CH3 Isobutane
CH3CH2CH2CH3 Butane
Li3N trilithium nitride
C2N2 Cyanogen C2N2+ Cyanogen cation
HCCCN Cyanoacetylene HCCCN+ Cyanoacetylene cation
HNCCNH Ethenediimine
H2CNCN cyanamide, methylene
C3H3N acrylonitrile C3H3N+ acrylonitrile cation
CH3N3 methyl azide
NH2CH2CN Aminoacetonitrile
NH2CCNH2 Diaminoacetylene
CH3NHN2+ methyl azide, protonated
C2H5CN ethyl cyanide
CH5N3 Guanidine
H2NCHCHNH2 diaminoethylene
CH3NNCH3 (Z)-1,2-Dimethyldiazene
CH6N3+ guanidinium
CH3NNCH3 (E)-1,2-Dimethyldiazene
C3H7N Cyclopropylamine
CH7N3 triaminomethane
C3H7N Azetidine
C2H8N2 Ethylenediamine
CH3NHNHCH3 dimethyl hydrazine
CH3CH(NH2)CH3 2-Propanamine
N(CH3)3 Trimethylamine
NH2CH2CH2CH3 1-Propanamine
C3H7NH3+ n-propylamine, protonated
(CH3)3NH+ protonated trimethyl amine
Li2O2 dilithium dioxide
C3O Tricarbon monoxide
B2O2 Diboron dioxide
CO3 Carbon trioxide CO3-- carbonate
ONNO NO dimer
NO3 Nitrogen trioxide NO3- nitrate anion NO3+ nitrogen trioxide cation
HCO3- bicarbonate anion
HNO3 Nitric acid
NH2NO2 nitramide
HCCCHO 2-propynal
C2H2CO cyclopropenone
C3H2O Propadienal
C2H2O2 Ethanedial C2H2O2+ Ethanedial cation
H2CO3 Carbonic acid
H2NO3+ Nitric Acid, Protonated
HOCH2CN cyanomethanol
CH3NCO methylisocyante
C2H3NO Nitrosoethylene
CH3COO- acetate anion
CH3NO2 Methane, nitro-
NH2COOH Carbamic acid
CH3ONO Methyl nitrite
H3BO3 Boric acid
H3CO3+ carbonic acid, protonated
CH2CHCHO Acrolein
C3H4O 2-Propyn-1-ol
C3H4O Cyclopropanone
C3H4O Methylketene
C3H4O allenol
NH2CONH2 Urea NH2CONH2+ Urea cation
CH3COOH Acetic acid
CH3OCHO methyl formate
CHOCH2OH hydroxy acetaldehyde
C2H4O2 1,3-dioxetane
NH3COOH+ protonated Carbamic acid
NH2COOH2+ Carbamic acid, O-protonated
HCOOHH2O Formic acid water dimer
H2OHCOOH Water formic acid dimer 1
H2OHCOOH Water formic acid dimer 2
HOCH2OOH hydroxy methyl peroxide
CH3COCH2 Acetonyl radical
CH3CONH2 Acetamide
CH3CHNOH Acetaldoxime
HCONHCH3 N-methylformamide
CH3C(OH)=NH Ethaninidic acid
CH2C(OH)NH2 1-amino vinyl alchohol
C2H5OO ethylperoxy radical
CH5N2O+ urea, N-protonated
H2NCOHNH2+ urea, protonated
CH3COCH3 Acetone CH3COCH3- acetone anion
C3H6O Propylene oxide
C3H6O 2-Propen-1-ol
CH3CH2CHO Propanal
C3H6O Oxetane
C3H5OH Cyclopropanol
C3H6O Acetone enol
C2H6O2 1,2-Ethanediol
CH3OOCH3 dimethylperoxide
CH3COHCH3+ acetone, protonated
HOCH2CH2NH2 monoethanolamine
CH3CHOHCH3 Isopropyl alcohol
C3H7OH 1-Propanol
CH3OC2H5 Ethane, methoxy-
H2OCH3OCH3 water dimethylether dimer
C3H9O+ trimethyl oxonium cation
Li2F2 Lithium fluoride dimer
C2F2 difluoroacetylene
CF2O Carbonic difluoride CF2O+ Carbonic difluoride cation
BF3 Borane, trifluoro- BF3- Borane, trifluoro- anion BF3+ boron trifluoride cation
FNO2 Nitryl fluoride
N2F2 Dinitrogen difluoride, (E)-
N2F2 (Z)-Difluorodiazene
FONO Nitrosyl hypofluorite
CF3 Trifluoromethyl radical CF3- Trifluoromethyl anion CF3+ Trifluoromethyl cation
FOOF Perfluoroperoxide
NF3 Nitrogen trifluoride NF3- Nitrogen trifluoride anion NF3+ Nitrogen trifluoride cation
CHF3 Methane, trifluoro-
NF3H+ protonated nitrogen trifluoride
CH2CF2 Ethene, 1,1-difluoro-
C2H2F2 Ethene, 1,2-difluoro-, (Z)-
C2H2F2 Ethene, 1,2-difluoro-, (E)-
CH3COF Acetyl fluoride
CH2FCHO Fluoroacetaldehyde
CH3CHF2 Ethane, 1,1-difluoro-
C2H4F2 1,2-difluoroethane
CH2CHCH2F Allyl Fluoride
CH2CFCH3 2-fluoropropene
CH3CHCHF trans-1-Fluoro-1-propene
CH2FCH2OH 2-fluoroethanol
CH3CHFCH3 2-Fluoropropane
CH2FCH2CH3 1-Fluoropropane
Na2O2 disodium dioxide
Na2F2 Sodium Fluoride Dimer
AlF3 Aluminum trifluoride
H3AlO3 Aluminum hydroxide
Al(CH3)3 trimethyl aluminum
SiF3 Silicon trifluoride radical SiF3+ Silicon trifluoride cation
SiHF3 trifluorosilane
N(SiH3)3 trisilylamine
SiH(CH3)3 trimethylsilane
P4 Phosphorus tetramer
PF3 Phosphorus trifluoride
P(CH3)3 trimethylphosphine
CS3-- Carbonotrithioate
S2N2 Disulfur dinitride
SO3 Sulfur trioxide SO3- Sulfur trioxide anion SO3-- Sulfate dianion SO3+ Sulfur trioxide cation
S4 Sulfur tetramer
F2SO Thionyl Fluoride
FSSF Difluorodisulfane
S2F2 Thio-thionyl fluoride
SF3 Sulfur trifluoride
HSO3 Hydroxysulfonyl radical
H2CS3 thiocarbonic acid
H2SO3 Sulfurous acid
NH2CSNH2 Thiourea
CH3CSNH2 Ethanethioamide
C3H6S Thietane
C3H6S Thiirane, methyl-
CH3CSCH3 Thioacetone
CH3SOCH3 Dimethyl sulfoxide
CH2SHCH2SH 1,2-Ethanedithiol
CH3SSCH3 Disulfide, dimethyl
CH3CHSHCH3 2-Propanethiol
C3H7SH 1-Propanethiol
CH3SCH2CH3 Ethane, (methylthio)-
Na2Cl2 Disodium dichloride
C2Cl2 dichloroacetylene C2Cl2+ dichloroacetylene cation
CCl2O Phosgene
COFCl Carbonic chloride fluoride
Cl2CS Thiophosgene
AlCl3 Aluminum trichloride
BCl3 Borane, trichloro- BCl3+ Boron Trichloride cation
ClNO2 Nitryl chloride
AlFCl2 Aluminum dichloride fluoride
AlF2Cl Aluminum chloride difluoride
BClF2 Chlorodifluoroborane
ClONO chlorine nitrite
CF2Cl difluorochloromethyl radical
CFCl2 dichlorofluoromethyl radical
CCl3 Trichloromethyl radical CCl3- Trichloromethyl anion CCl3+ Trichloromethyl cation
ClO3 Chlorine trioxide
SiCl3 trichlorosilyl radical SiCl3+ trichlorosilyl cation
ClO3- chlorate anion
SOCl2 thionyl chloride
PCl3 Phosphorus trichloride
ClSSCl Disulfur dichloride
NCl3 nitrogen trichloride
ClOOCl Dichlorine dioxide
ClO2F Chloryl fluoride
SSCl2 Thiothionyl chloride
ClF3 Chlorine trifluoride
CHCl3 Chloroform
CHFCl2 fluorodichloromethane
CHF2Cl difluorochloromethane
CDCl3 trichloromethane-d
HClO3 Chloric Acid
SiHCl3 Trichlorosilane
CH2CCl2 Ethene, 1,1-dichloro-
CHClCHCl Ethene, 1,2-dichloro-, (Z)-
CHClCHCl Ethene, 1,2-dichloro-, (E)-
CHFCHClz (Z)-1-Chloro-2-fluoroethene
CHFCHCl (E)-1-chloro-2-fluoroethene
C2H2ClF 1-chloro-1-fluoroethylene
CH3COCl Acetyl Chloride
CH2ClCHO chloroacetaldehyde
CH3CHCl2 Ethane, 1,1-dichloro-
CH2ClCH2Cl Ethane, 1,2-dichloro-
CH2FCH2Cl Ethane, 1-chloro-2-fluoro-
CH3CHFCl Ethane, 1-chloro-1-fluoro-
C3H5Cl 1-Propene, 3-chloro-
C3H5Cl 1-chloro-1-propene(Z)
C3H5Cl 1-chloro-1-propene(E)
CH2ClCH2OH 2-Chloroethanol
CH2ClCH2OH2+ 2-chloroethanol, protonated
CH3CHClCH3 Propane, 2-chloro-
CH2ClCH2CH3 Propane, 1-chloro-
K2O2 dipotassium dioxide
ScF3 Scandium trifluoride
GaF3 Gallium trifluoride
GaCl3 Gallium trichloride
As4 Arsenic tetramer
AsCl3 Arsenous trichloride
AsF3 Arsenic trifluoride
AsF3H+ Arsenic trifluoride, protonated
As(CH3)3 trimethyl arsine
SeO3 selenium trioxide
SeOCl2 selenium oxychloride
COBr2 Carbonic dibromide
AlBr3 Aluminum Bromide
BBr3 Boron tribromide
BrONO Bromine nitrite
CBr3 tribromomethyl radical
BrO3- Bromate anion
AsBr3 Arsenic tribromide
PBr3 Phosphorus tribromide
NBr3 Nitrogen Tribromide
BrF3 Bromine trifluoride
CHBr3 bromoform
CHBrCl2 Methane, bromodichloro-
CHClBr2 Methane, dibromochloro-
CHFClBr fluorochlorobromomethane
CHBrF2 Methane, bromodifluoro-
CHBr2F dibromofluoromethane
CHBrCHBr Ethene, 1,2-dibromo-, (Z)-
CHBrCHBr Ethene, 1,2-dibromo-, (E)-
C2H2Br2 1,1-dibromoethene
CH2BrCH2Br Ethane, 1,2-dibromo-
CH2BrCH2Cl 1-bromo-2-chloroethane
CH3CHBrCH3 i-propyl bromide
CH3CH2CH2Br n-propyl bromide
SbF3 Antimony Trifluoride
SbCl3 Antimony Trichloride
TeO3 Tellurium trioxide
NI3 Nitrogen triiodide
PI3 Phosphorus triiodide
IF3 iodone trifluoride
CHI3 Iodoform
CHCl2I dichloroiodomethane
CHF2I difluoroiodomethane
CHFClI fluorochloroiodomethane
Jump to: Atoms hydrogen 1 heavy 2 heavies 3 heavies 4 heavies 5 heavies 6 heavies 7 heavies 8 heavies 9 heavies 10 or more heavies

5 HEAVY ATOMS

Species Name Species Name Species Name
B5H9 pentaborane9
C5H4 pentatetraene
C5H5 cyclopentadienyl radical
C5H5- cylopentadienyl anion
C5H6 1-Buten-3-yne, 2-methyl-
C5H6 1,3-Cyclopentadiene
C5H6 3-Penten-1-yne, (Z)-
C5H6 3-Penten-1-yne, (E)-
C5H6 Bicyclo[2.1.0]pent-2-ene
C5H6 Cyclopropylacetylene
C5H6 Propellane
C5H7 cyclopentenyl radical
C5H7 1,3-pentadienyl radical
C5H8 1,3-Butadiene, 2-methyl-
C5H8 Cyclopentene
C5H8 Bicyclo[1.1.1]pentane
C5H8 1,4-Pentadiene
C5H8 1,2-Pentadiene
C5H8 2,3-Pentadiene
C5H8 1,2-Butadiene, 3-methyl-
C5H8 1-pentyne
CH3CCCH2CH3 2-Pentyne
C5H8 Ethenylcyclopropane
C5H8 Cyclobutane, methylene-
C5H8 1,3-Pentadiene, (Z)-
C5H8 1,3-Pentadiene, (E)-
C5H8 Spiropentane
C5H8 Bicyclo[2.1.0]pentane
CH2CHCH2CH2CH3 1-pentene
C5H10 Cyclopentane
C5H10 2-Butene, 2-methyl-
C5H10 1-Butene, 2-methyl-
C5H10 2-Pentene, (Z)-
C5H10 2-Pentene, (E)-
C5H10 Cyclopropane, 1,1-dimethyl-
C5H11 2-Methylbut-2-yl radical
C5H12 Butane, 2-methyl-
C5H12 Pentane
C5H12 Propane, 2,2-dimethyl-
C3H2N2 Malononitrile
CH2N4 1H-Tetrazole
C3H3N2 imidazolyl radical C3H3N2- imidizolyl anion
C2H3N3 1H-1,2,4-Triazole
C4H4N pyrrolide radical C4H4N- pyrrolide anion
C3H4N2 1H-Pyrazole
C3H4N2 1H-Imidazole
C3H4N2 4H-Imidazole
C3H4N2 2H-Imidazole
C4H5N Pyrrole
C4H5N (E)-2-Butenenitrile
C4H5N (Z)-2-Butenenitrile
C4H5N Cyclopropanecarbonitrile
C4H5N 3H-pyrrole
C4H5N 2H-pyrrole
CH2CHCH2CN Allylcyanide
C4H6N+ pyrrole, protonated
C4H6N+ pyrrole, beta-protonated
C4H6N+ pyrrole, alpha-protonated
C3H6N2 3-Aminopropionitrile
CH3CH(CH3)CN Propanenitrile, 2-methyl-
CH3CH2CH2CN Butanenitrile
C4H9N Pyrrolidine
C4H9N Cyclobutylamine
C3H10N2 1,2-Diaminopropane
C(CH3)3NH2 2-Propanamine, 2-methyl-
C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl-
C(NH2)H2CH2CH2CH3 1-Butanamine
NH(C2H5)2 diethylamine
CH3C(NH2)HCH2CH3 2-Butanamine
NC4H12+ tetramethyl ammonium cation
N2O3 Dinitrogen trioxide
C3O2 Carbon suboxide C3O2+ Carbon suboxide cation
B2O3 diboron trioxide
BeCO3 Beryllium Carbonate
ONONO Nitrosyl nitrite
HOONO2 peroxy nitric acid
C3H2O2 Propiolic acid
CHOCOOH oxo acetic acid
CHOOCHO diformyl ether
C2H2N2O Furazan
C3H3NO Isoxazole
C3H3NO Oxazole
CH3C(O)OO acetyl peroxy radical
CH3NO3 Methyl nitrate
C4H4O Furan C4H4O+ Furan cation
CH3COCCH 3-butyn-2-one
C3H4O2 β–Propiolactone
C3H4O2 Methyl glyoxal
C3H4O2 2-Propenoic acid
C3H4O2 propanedial
C3H4O2 propenalol
HOCHCCHOH allenediol
HOCH2COOH Hydroxyacetic acid
C2H4O3 trioxolane124
C2H4O3 1,2,3-trioxolane
CH2CHCONH2 Acrylamide
CH3OCH2CN Methoxyacetonitrile
H2NCH2COOH Glycine
CH2CHOCHCH2 Vinyl ether
C4H6O Cyclobutanone
C4H6O Furan, 2,3-dihydro-
C4H6O Furan, 2,5-dihydro-
CHOCHCHCH3 2-Butenal
C4H6O cis-2-butenal
CH3CH2COOH Propanoic Acid
CH3COOCH3 methyl acetate
HCOOC2H5 Ethyl formate
C2H6N2O Urea, methyl-
C3H6O2 1,3-Dioxolane
C3H7NO dimethylformamide
C3H7NO Propanamide
CHOCH(CH3)CH3 Propanal, 2-methyl-
CH3COCH2CH3 2-Butanone
C2H3OC2H5 Ethene, ethoxy-
C4H8O Furan, tetrahydro-
CH2C(CH3)OCH3 1-Propene, 2-methoxy-
CHOCH2CH2CH3 Butanal
C4H8O Cyclobutanol
C3H8O2 Propylene glycol
C3H8O2 Methane, dimethoxy-
C3H8O2 1,3-Propanediol
C3H8O2 Hydroperoxide, 1-methylethyl
C4H10O Ethoxy ethane
C4H10O 1-Butanol C4H10O+ 1-Butanol cation
C4H10O Ethanol, 1,1-dimethyl-
C4H10O 1-Propanol, 2-methyl-
C4H10O Methyl propyl ether
C4H10O Propane, 2-methoxy-
C4H10O 2-Butanol, (.+/-.)-
FNO3 Fluorine nitrate
BF4- tetrafluoroboron anion
CF4 Carbon tetrafluoride
F3NO Nitrogen trifluoride oxide
C2HF3 Trifluoroethylene C2HF3+ Trifluoroethylene cation
CF3OH trifluoromethanol
CH3CF3 Ethane, 1,1,1-trifluoro-
CHF2CH2F Ethane, 1,1,2-trifluoro
BF3NH3 Boron trifluoride monoammoniate
NH3BF3 Amminetrifluoroboron
CH3CF2CH3 2,2-difluoropropane
CH2FCH2CH2F 1,3-difluoropropane
CH3CHFCH2CH3 2-fluorobutane
C4H9F 1-fluorobutane
MgCO3 Magnesium Carbonate
SiF4 Silicon tetrafluoride
SiH3CCl3 (trichloromethyl)silane
Si(CH3)4 tetramethylsilane
PO4--- phosphate
F3PO Phosphoryl fluoride
PF3CH2 phosphorane, trifluoromethylene-
CF3PH2 phosphine, (trifluoromethyl)-
H3PO4 Phosphoric Acid
SO4-- sulfate
SO2F2 Sulfuryl fluoride
SF4 Sulfur tetrafluoride
HSO4- bisulfate anion
HSO3F Fluorosulfonic acid
C2H2N2S 1,3,4-Thiadiazole
H2SO4 Sulfuric acid
C3H3NS Thiazole
C4H4S Thiophene
CH5N3S Hydrazinecarbothioamide
CH3SO2NH2 methanesulfonamide
CH2CHSCHCH2 Divinyl sulfide
C4H6S Thiophene, 2,3-dihydro-
C4H6S Thiophene, 2,5-dihydro-
C2H6O2S Dimethyl sulfone
CH3SSSCH3 dimethyl trisulfide
C4H8S Thiophene, tetrahydro-
C3H8S2 1,3-Propanedithiol
C(CH3)3SH 2-Propanethiol, 2-methyl-
C4H9SH 1-Butanethiol
C2H5SC2H5 Diethyl sulfide
CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl-
CH3CH(SH)CH2CH3 2-Butanethiol
CH3C(SCH3)HCH3 Propane, 2-(methylthio)-
ClONO2 Chlorine nitrate
ClO4- perchlorate anion
CCl4 Carbon tetrachloride CCl4+ Carbon tetrachloride cation
CFCl3 Trichloromonofluoromethane
CF2Cl2 difluorodichloromethane
CF3Cl Methane, chlorotrifluoro-
ClFO3 Perchloryl fluoride
SO2Cl2 Sulfuryl chloride
Cl3PO Phosphoryl chloride
SiCl4 Silane, tetrachloro-
SCl4 Sulfur tetrachloride
ClOF3 Chlorine trifluoride oxide
CHClCCl2 Trichloroethylene
HClO4 perchloric acid
CH2ClCCCl 1,3-dichloropropyne
CHClCCHCl 1,3-dichloroallene
CHCl2CCH 3,3-dichloropropyne
CHCl2CHO dichloroacetaldehyde
CH3CCl3 Ethane, 1,1,1-trichloro-
CH3CF2Cl 1-Chloro-1,1-Difluoroethane
SiCl3CH3 methyltrichlorosilane
CH2ClCHCl2 1,1,2-trichloroethane
CH3CFCl2 1,1-Dichloro-1-fluoroethane
NH3BCl3 Amminetrichloroboron
CH2CClCHCH2 1,3-Butadiene, 2-chloro-
C3H5ClO Oxirane, (chloromethyl)-
SiCl2(CH3)2 dichlorodimethylsilane
CH2ClCHClCH3 Propane, 1,2-dichloro-
CHCl2CH2CH3 1,1-dichloropropane
CH2ClCH2CH2Cl 1,3-dichloropropane
CH3CCl2CH3 Propane, 2,2-dichloro-
CH2CHCHClCH3 1-Butene, 3-chloro-
CH2ClCHCHCH3 2-Butene, 1-chloro-
CH2CHCH2CH2Cl 1-Butene, 4-chloro-
CH2CClCH2CH3 1-Butene, 2-chloro-
CH3CClCHCH3 2-Butene, 2-chloro-, (Z)-
CH3CClCHCH3 2-Butene, 2-chloro-, (E)-
CHClCHCH2CH3 (Z)-1-Chloro-1-butene
CHClCHCH2CH3 (E)-1-Chloro-1-butene
CH3CHClCH2CH3 Butane, 2-chloro-
CH2ClCH2CH2CH3 Butane, 1-chloro-
CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl-
CaCO3 Calcium Carbonate
TiCl4 Titanium tetrachloride
TiF4 Titanium tetrafluoride
GeF4 Germanium tetrafluoride
GeCl4 Germanium Tetrachloride
SeF4 Selenium tetrafluoride
H2SeO4 Selenic acid
C4H4Se selenophene
BrONO2 Bromine nitrate
CBr2F2 Methane, dibromodifluoro-
CBrCl3 Methane, bromotrichloro-
CF3Br Bromotrifluoromethane
CFBr3 fluorotribromomethane
CBr2ClF dibromochlorofluoromethane
CBrCl2F bromodichlorofluoromethane
CBrClF2 Methane, bromochlorodifluoro-
CBr4 Carbon tetrabromide
CBr3Cl tribromochloromethane
CBr2Cl2 dibromodichloromethane
SiBr4 Silicon tetrabromide
GeBr4 Germanium tetrabromide
CHBrCF2 1-Bromo-2,2-difluoroethylene
CH3CBr3 1,1,1-tribromoethane
CI4 tetraiodomethane
CCl3I trichloroiodomethane
CCl2I2 dichlorodiiodomethane
CFClBrI fluorochlorobromoiodomethane
CF2I2 difluorodiiodomethane
CF3I trifluoroiodomethane
SiI4 silicon tetraiodide
CBr3I tribromoiododmethane
XeF4 Xenon tetrafluoride
Jump to: Atoms hydrogen 1 heavy 2 heavies 3 heavies 4 heavies 5 heavies 6 heavies 7 heavies 8 heavies 9 heavies 10 or more heavies

6 HEAVY ATOMS

Species Name Species Name Species Name
C6H2 hexatriyne
C6H4 Benzyne
C6H4 (Z)-Hexa-1,5-diyne-3-ene
C6H4 (E)-Hexa-1,5-diyne-3-ene
C6H5 phenyl C6H5- phenyl anion
C6H6 Prismane
C6H6 Benzene C6H6+ Benzene cation
C6H6 Benzvalene
C6H6 Hexa-1,5-diene-3-yne
C6H6 2,4-Hexadiyne
C6H6 Trimethylenecycopropane
C6H6 3,4-Dimethylenecyclobutene
C6H6 Dewar Benzene
C6H6 1,2,4,5-Hexatetraene
C6H6 Fulvene
C6H7+ benzene, protonated
C6H8 1,3-Cyclohexadiene
C6H8 1,4-Cyclohexadiene
C6H8 Bicyclo[3.1.0]hex-2-ene
C6H8 (E)-hexa-1,3,5-triene
C6H8 Bicyclo[2.1.1]hex-2-ene
C6H8 3-Methylenecyclopentene
C6H8 (Z)-hexa-1,3,5-triene
C6H8 Bicyclo[2.2.0]hex-1(4)-ene
C6H8 (Z)-hexa-2,3,4-triene
C6H8 (E)-hexa-2,3,4-triene
C6H10 cyclohexene
C6H10 1,5-Hexadiene
C6H10 1-Hexyne
C6H10 Cyclopentene, 1-methyl-
C6H10 2-Hexyne
C6H10 1-Butyne, 3,3-dimethyl-
C6H10 3-Hexyne
C6H10 Cyclopentene, 3-methyl-
C6H10 Cyclopentene, 4-methyl-
C6H10 2,4-Hexadiene, (E,Z)-
C6H10 2,4-Hexadiene, (E,E)-
C6H10 2,4-Hexadiene, (Z,Z)-
C6H10 1,4-Hexadiene, (Z)-
C6H10 1,4-Hexadiene, (E)-
C6H10 1,3-Hexadiene, (Z)-
C6H10 1,3-Hexadiene, (E)-
C6H10 Bicyclo[3.1.0]hexane
C6H12 Cyclopentane, methyl-
C6H12 Cyclohexane
C6H12 2,3-dimethylbut-1-ene
C6H12 2,3-dimethyl-but-2-ene
C6H12 hex-1-ene
C6H12 (E)-3-methylpent-2-ene
C6H12 3-methylenepentane
C6H12 (Z)-3-methylpent-2-ene
C6H12 cis-1,3-dimethylcyclobutane
C6H12 (1r,3r)-1,3-dimethylcyclobutane
C6H12 (E)-2-Hexene
C6H12 Ethylcyclobutane
C6H12 (Z)-hex-3-ene
C6H12 (Z)-hex-2-ene
C6H12 (E)-hex-3-ene
C6H12 cis-1,2-dimethylcyclobutane
C6H12 (1R,2R)-1,2-dimethylcyclobutane
C4H6(CH3)2 1,1-dimethylcyclobutane
C6H14 Butane, 2,2-dimethyl-
C6H14 Butane, 2,3-dimethyl-
C6H14 Pentane, 3-methyl-
C6H14 Pentane, 2-methyl-
C6H14 Hexane
C4N2 2-Butynedinitrile
C4H2N2 Fumaronitrile
C2H2N4 sym-tetrazine
C3H3N3 1,3,5-Triazine
CH3N5 5-Aminotetrazole
C4H4N2 Succinonitrile
C4H4N2 Pyridazine
C4H4N2 1,3-Diazine
C4H4N2 Pyrazine
C2H4N4 1H-Tetrazole, 5-methyl-
C2H4N4 1H-Tetrazole, 1-methyl-
C2H4N4 2H-Tetrazole, 2-methyl-
C5H5N Pyridine
C5H5N E-2,4-pentadienenitrile
C5H5N Bicyclo[1.1.0]butane-1-carbonitrile
B3N3H6 borazine
C5H6N+ Pyridinium
C4H6N2 1H-Imidazole, 2-methyl-
C5H7N 1H-Pyrrole, 1-methyl-
C5H7N Cyclobutanecarbonitrile
C5H7N (E)-3-Pentenenitrile
C5H7N (Z)-2-Pentenenitrile
C5H7N (E)-2-Pentenenitrile
C5H9N Pentanenitrile
C5H9N Propanenitrile, 2,2-dimethyl-
C5H9N 1,2,3,6-Tetrahydropyridine
C5H9N Butanenitrile, 2-methyl-
C5H11N Piperidine
C5H11N Cyclopentanamine
C4H12N2 2-Methyl-1,2-propanediamine
C4H12N2 1,2-Butanediamine
Li2CO3 Lithium Carbonate
C2O4-- oxalate anion
N2O4 Dinitrogen tetroxide
C3H2O3 vinylene carbonate
C2H2O4 Oxalic Acid
C2H3NO3 Oxamic acid
C4H4O2 2(5H)-Furanone
C4H4O2 2-Oxetanone, 4-methylene-
C2H4CO3 Ethylene carbonate
C2H4N2O2 Oxalamide
C2H4O4 Formic acid dimer
C4H5NO Isoxazole, 5-methyl-
C4H5NO 3-Methylisoxazole
C2H5NO3 Nitric acid, ethyl ester
C5H6O 2H-Pyran
C5H6O 2-methylfuran
C5H6O Pentadienal
C5H6O 3-Methylfuran
C4H6O2 2-Propenoic acid, methyl ester
C4H6O2 γ–Butyrolactone
C4H6O2 Crotonic Acid
C4H6O2 2,3-Butanedione
C3H6O3 1,3,5-Trioxane
C2H6N2O2 Dimethylnitroamine
C2H6N2O2 (E)-Azodioxymethane
C4H7NO Methacrylamide
C4H7NO 2-Pyrrolidinone
C4H7NO Oxazole, 4,5-dihydro-2-methyl-
C4H7NO Ethoxyacetonitrile
HCONH2CN2H4 formamide aminomethanimine dimer
NH2COOC2H5 Urethane
CH3CH(NH2)COOH Alanine
NH2CH2CH2COOH β–alanine
CH3NHCH2COOH Sarcosine
CH3CH(CH3)ONO Isopropyl nitrite
C3H7ONO Propyl nitrite
C5H8O 2H-Pyran, 3,4-dihydro-
C5H8O Cyclopentanone
C5H8O Methyl cyclopropyl ketone
C5H8O Furan, 2,3-dihydro-5-methyl-
NH(CH3)CONH(CH3) Urea, N,N'-dimethyl-
C4H8O2 1,4-Dioxane
C4H8O2 Ethyl acetate
C4H8O2 1,3-Dioxolane, 2-methyl-
C4H8O2 1,3-Dioxane
N(CH3)2CONH2 Urea, N,N-dimethyl-
NH2CONHC2H5 Urea, ethyl-
C4H8O2 Ethene, 1,1-dimethoxy-
C3H8O3 1,2,3-Propanetriol
C4H8O2 Butanoic acid
C4H9NO Butanamide
C4H9NO Propanamide, 2-methyl-
C5H10O 2-methylbutyraldehyde
C5H10O 3-Pentanone
C5H10O Cyclopentanol
C5H10O 2-Pentanone
C5H10O Pentanal
C5H10O 2H-Pyran, tetrahydro-
C5H10O 2-Butanone, 3-methyl-
C5H10O Oxetane, 3,3-dimethyl-
C4H10O2 1,3-Butanediol
C4H10O2 1,4-Butanediol
C4H10O2 Ethane, 1,2-dimethoxy-
C4H10O2 1,1-Dimethoxyethane
C4H11NO Diethylhydroxylamine
C5H12O 1-Pentanol
C5H12O 1-Butanol, 3-methyl-
C5H12O 1-Butanol, 2-methyl-
C5H12O 3-Pentanol
C5H12O 2-Butanol, 3-methyl-
C5H12O Butane, 1-methoxy-
C5H12O Propane, 1-ethoxy-
C5H12O Propane, 2-methoxy-2-methyl-
C5H12O 2-Pentanol
C4F2 difluorobutadiyne
CF3CN Acetonitrile, trifluoro- CF3CN+ Acetonitrile, trifluoro- cation
B2F4 Diboron tetrafluoride
C2F4 Tetrafluoroethylene C2F4+ Tetrafluoroethylene cation
CF3OF Trifluoromethylhypofluorite
CF3CHO trifluoroacetaldehyde
CHF2CHF2 1,1,2,2-tetrafluoroethane
CF3CH2F 1,1,1,2-tetrafluoroethane
CF3COOH trifluoroacetic acid
Na2CO3 Sodium Carbonate
SiF5- silicon pentafluoride anion
N3P3 1,3,5,2,4,6-Triazatriphosphorine
PF5 Phosphorus pentafluoride
MgSO4 Magnesium Sulfate
SF5 Sulfur pentafluoride SF5+ pentafluoro sulfur cation
C2H4N2S2 Ethanedithioamide
C3H4S3 1,3-Dithiolane-2-thione
C3H4O2S 2H-Thiete-1,1-dioxide
C4H5NS 4-Methylthiazole
C5H6S Thiophene, 2-methyl-
C5H6S Thiophene, 3-methyl-
C4H6OS Dihydro-3-(2H)-thiophenone
C4H6OS Dihydro-2-(3H)-thiophenone
C4H6OS Vinyl sulfoxide
C4H6OS 4,5-dihydrothiophene-3-ol
C4H6OS 2,5-dihydrothiophene-3-ol
C4H6OS 4,5-dihydrothiophene-2-ol
C4H6OS 2,3-dihydrothiophene-2-ol
C3H6S3 1,3,5-Trithiane
CH6N4S Carbonothioic dihydrazide
C3H6S3 Carbonotrithioic acid, dimethyl ester
C2H6O3S Sulfurous acid, dimethyl ester
C4H8OS s-Ethyl thioacetate
C3H8O2S (Methylsulfonyl)ethane
C5H10S 2H-Thiopyran, tetrahydro-
C5H10S Cyclopentanethiol
C5H10S Thiophene, tetrahydro-2-methyl-
C5H10S Thiophene, tetrahydro-3-methyl-
C5H10S 3-Ethylthio-1-propene
C4H10OS Diethyl sulfoxide
C4H10S2 1,4-Butanedithiol
C5H12S 1-Pentanethiol
C5H12S 1-Butanethiol, 3-methyl-
C5H12S Butane, 1-(methylthio)-
C5H12S 1-Propanethiol, 2,2-dimethyl-
C5H12S 2-Butanethiol, 2-methyl-
C5H12S 1-Butanethiol, 2-methyl-
C5H12S 2-Butanethiol, 3-methyl-
C5H12S Ethyl propyl sulfide
C5H12S Propane, 2-(ethylthio)-
C5H12S Propane, 2-methyl-2-(methylthio)-
ClCOClCO Oxalyl chloride
B2Cl4 Diboron tetrachloride
CF2CCl2 difluorodichloroethylene
C2ClF3 Ethene, chlorotrifluoro-
C2Cl4 Tetrachloroethylene
CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene
C2FCl3 fluorotrichloroethene
CFClCClF trans-1,2-dichloro-1,2-difluoroethylene
PCl5 Phosphorus pentachloride
ClF5 chlorinepentafluoride
CCl3CHO trichloroacetaldehyde
CF3CH2Cl 2,2,2-Trifluoroethyl chloride
CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro-
CHCl2CHF2 1,1-dichloro-2,2-difluoroethane
CH2ClCCl3 1,1,1,2-tetrachloroethane
CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR
CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro-
C4H3ClO Furan, 2-chloro
C4H3ClO Furan,3-chloro
C3H5ClO2 Carbonochloridic acid, ethyl ester
C3H5Cl3 Propane, 1,2,3-trichloro-
C4H8Cl2 1,4-Dichlorobutane
C4H8Cl2 Butane, 1,2-dichloro-
C4H8Cl2 Butane, 1,3-dichloro-
C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)-
C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)-
C4H9ClO 1-Chloro-2-ethoxyethane
C5H11Cl Pentane, 1-chloro-
SOF4 Sulfur tetrafluoride oxide
AsF5 Arsenic pentafluoride
C2Br4 tetrabromoethene
BrF5 bromine pentafluoride
CH2BrCBr3 1,1,1,2-tetrabromo ethane
SbCl5 Antimony pentachloride
IF5 pentafluoroiodine
Jump to: Atoms hydrogen 1 heavy 2 heavies 3 heavies 4 heavies 5 heavies 6 heavies 7 heavies 8 heavies 9 heavies 10 or more heavies

7 HEAVY ATOMS

Species Name Species Name Species Name
C6H5CH2 benzyl radical
C7H7 cycloheptatrienyl radical C7H7+ cycloheptatrienyl cation
C6H5CH3 toluene
C7H8 Norbornadiene
C7H8 Quadricyclane
C7H8 cycloheptatriene
C7H10 Norbornene
CH(C2H3)3 trivinyl methane
C7H12 Norbornane
C7H14 cycloheptane
C7H16 heptane
C7H16 3-methylhexane
C7H16 2-methylhexane
CH(CN)3 tricyanomethane
HN=C=C(CN)2 Dicyanoketenimine
C6H5NH2 aniline
C6H7N 2-Methylpyridine
C6H13N cyclohexanamine
C6H13N 2-Methylpiperidine
C6H15N triethylamine
N2O5 Dinitrogen pentoxide
C4H2O3 Maleic Anhydride
C5H4O2 4-Cyclopentene-1,3-dione
C5H4O2 furfural
C6H5O phenoxy radical
C5H5NO 3-Pyridinol
C5H5NO 2-Pyridinol
C5H5NO 4-Pyridinol
C5H5NO 3(2H)-Pyridinone
C5H5NO 3(6H)-Pyridinone
C5H5NO 3(4H)-Pyridinone
C5H5NO 2(5H)-Pyridinone
C5H5NO 2(3H)-Pyridinone
C5H5NO 4(3H)-Pryidinone
C5H5NO 4(1H)-Pryidinone
C5H5NO 2(1H)-Pyridinone
C6H5OH phenol
C6H6O 2,5-Cyclohexadienone
C6H6O 2,4-Cyclohexadienone
HO2CCHNH2CH2OH Serine
C5H8O2 Acetylacetone
C6H10O cyclohexanone
C6H12O hexanal
C6H12O Oxepane
C3H7OC3H7 di-n-propyl ether
F2CCCF2 tetrafluoroallene
CF3COO- trifluoro acetate anion
CF3COF trifluoroacetyl fluoride
CF3CHF2 pentafluoroethane
C6H5F Fluorobenzene
PF6 Hexafluorophosphate neutral PF6- Hexafluorophosphate ion
SF6 Sulfur Hexafluoride
C6H5SH Benzenethiol
C4H8O2S Sulfolane
CF3COCl trifluoroacetyl chloride
SF5Cl sulfur chloropentafluoride
CCl3CHCl2 pentachloroethane
CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane
CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro-
CF3CHFCl 1,1,1,2-tetrafluorochloroethane
C6H5Cl chlorobenzene
SeF6 Selenium hexafluoride
C6H5Br bromobenzene
Jump to: Atoms hydrogen 1 heavy 2 heavies 3 heavies 4 heavies 5 heavies 6 heavies 7 heavies 8 heavies 9 heavies 10 or more heavies

8 HEAVY ATOMS

Species Name Species Name Species Name
C8H6 Calicene
C8H6 Pentalene
C6H5CCH phenylacetylene
C8H6 benzocyclobutadiene
C6H5CHCH2 Styrene
C8H8 cubane
C8H8 cyclooctatetraene
C6H5CH2CH3 Ethylbenzene
CH3C6H4CH3 paraxylene
CH3C6H4CH3 meta-xylene
C8H14 Bicyclo[2.2.2]octane
C8H16 cyclooctane
C8H18 Octane
(CH3)3CC(CH3)3 tetramethylbutane
C6H5CN phenyl cyanide
C6H12N2 Triethylenediamine
C4O4-- squarate dianion
C6H4O2 parabenzoquinone
C4H4N2O2 Uracil
C6H5NO nitrosobenzene
C6H5CHO benzaldehyde
C6H5OCH3 Anisole
C5H9NO2 Proline
C6H12O2 Hexanoic acid
C6H12O2 Methyl pivalate
C4F4 tetrafluorcyclobutadiene
C2F6 hexafluoroethane
C6H4F2 orthodifluorobenzene
C6H4F2 metadifluorobenzene
C6H4F2 1,4-difluorobenzene
S4N4 Tetrasulfur tetranitride
S8 Octasulfur
Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi-
C2Cl6 hexachloroethane
CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro-
CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane
CF3CF2Cl pentafluorochloroethane
CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane
CF3CFCl2 1,1-Dichlorotetrafluoroethane
C6H4Cl2 1,2-dichlorobenzene
C6H4Cl2 1,4-dichlorobenzene
C6H4Cl2 1,3-dichlorobenzene
IF7 Iodine heptafluoride
Jump to: Atoms hydrogen 1 heavy 2 heavies 3 heavies 4 heavies 5 heavies 6 heavies 7 heavies 8 heavies 9 heavies 10 or more heavies

9 HEAVY ATOMS

Species Name Species Name Species Name
C9H8 Indene
C9H8 spiro[4.4]nona-1,3,6,8-tetraene
C9H12 n-propyl benzene
C9H20 Nonane
C(CN)4 tetracyanomethane
C5H4N4 purine
C8H7N Indole
C3H3N3O3 cyanuric acid
C6H5NO2 Nitrobenzene
C6H5COOH benzoic acid
CH3COC6H5 acetophenone
C8H18O 1-Octanol
C3F6 hexafluoropropene
C6H3F3 Benzene trifluoride 123
C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro-
Jump to: Atoms hydrogen 1 heavy 2 heavies 3 heavies 4 heavies 5 heavies 6 heavies 7 heavies 8 heavies 9 heavies 10 or more heavies

10 HEAVY ATOMS

Species Name Species Name Species Name
C10H8 naphthalene
C10H8 Azulene
C10H10 bullvalene
C10H16 adamantane
C10H22 Decane
C6N4 Tetracyanoethylene C6N4- tetracyanoethylene anion
C4F6 perfluorobutadiene
SF5CF3 Sulfur, pentafluoro(trifluoromethyl)-
Jump to: Atoms hydrogen 1 heavy 2 heavies 3 heavies 4 heavies 5 heavies 6 heavies 7 heavies 8 heavies 9 heavies 10 or more heavies

11 HEAVY ATOMS

Species Name Species Name Species Name
C3F8 perfluoropropane
Fe(CO)5 Iron pentacarbonyl
Fe(C5H5)2 ferrocene
Jump to: Atoms hydrogen 1 heavy 2 heavies 3 heavies 4 heavies 5 heavies 6 heavies 7 heavies 8 heavies 9 heavies 10 or more heavies

12 HEAVY ATOMS

Species Name Species Name Species Name
B12H12-- Dodecahydrododecaborate(2-)
B12H12-- Dodecahydrododecaborate(2-)
C12H8 Acenaphthylene
C12H8 biphenylene
C12H10 biphenyl
C12H10 Heptalene
C6H12O6 Inositol
C6F6 hexafluorobenzene
S2F10 disulphur decafluoride
Jump to: Atoms hydrogen 1 heavy 2 heavies 3 heavies 4 heavies 5 heavies 6 heavies 7 heavies 8 heavies 9 heavies 10 or more heavies

13 HEAVY ATOMS

Species Name Species Name Species Name
C13H10 Fluorene
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14 HEAVY ATOMS

Species Name Species Name Species Name
C14H10 Phenanthrene
C14H10 Anthracene
C14H14 Bibenzyl
C12H10N2 azobenzene
C6H5COC6H5 benzophenone
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16 HEAVY ATOMS

Species Name Species Name Species Name
C16H10 Pyrene
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18 HEAVY ATOMS

Species Name Species Name Species Name
C18H12 Tetracene
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19 HEAVY ATOMS

Species Name Species Name Species Name
C19H16 Triphenylmethane
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24 HEAVY ATOMS

Species Name Species Name Species Name
C24H12 Coronene
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60 HEAVY ATOMS

Species Name Species Name Species Name
C60 Buckminsterfullerene
Jump to: Atoms hydrogen 1 heavy 2 heavies 3 heavies 4 heavies 5 heavies 6 heavies 7 heavies 8 heavies 9 heavies 10 or more heavies

There are a total of 2186 species.