return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Energy differences between frozen core and all electrons correlated for CCSD(T) and (MP2, MP3, MP4, CCSD)

So far we have calculation for only a few small molceules.
Species Name
H Hydrogen atom
H Hydrogen atom
H Hydrogen atom
H- Hydrogen atom anion
H- Hydrogen atom anion
H+ Hydrogen atom cation
He- Helium atom anion
He+ Helium atom cation
He+ Helium atom cation
He Helium atom
He Helium atom
Li- Lithium atom anion
Li- Lithium atom anion
Li Lithium atom
Li Lithium atom
Li+ Lithium atom cation
Be+ Beryllium atom cation
Be Beryllium atom
Be Beryllium atom
B- Boron atom anion
B Boron atom
B Boron atom
B+ Boron atom cation
C- Carbon atom anion
C Carbon atom
C Carbon atom
C Carbon atom
C+ Carbon atom cation
N Nitrogen atom
N Nitrogen atom
N- Nitrogen atom anion
N+ Nitrogen atom cation
O- Oxygen atom anion
O Oxygen atom
O Oxygen atom
O+ Oxygen atom cation
F- Fluorine atom anion
F Fluorine atom
F Fluorine atom
F Fluorine atom
F+ Fluorine atom cation
F+ Fluorine atom cation
Ne+ Neon atom cation
Ne- Neon atom anion
Ne Neon atom
Na- Sodium atom anion
Na+ Sodium atom cation
Na Sodium atom
Mg+ Magnesium atom cation
Mg- Magnesium atom anion
Mg Magnesium atom
Mg Magnesium atom
Al- Aluminum atom anion
Al- Aluminum atom anion
Al+ Aluminum atom cation
Al+ Aluminum atom cation
Al+ Aluminum atom cation
Al Aluminum atom
Al Aluminum atom
Si+ Silicon atom cation
Si Silicon atom
Si Silicon atom
Si- Silicon atom anion
Si- Silicon atom anion
P+ Phosphorus atom cation
P Phosphorus atom
P Phosphorus atom
P Phosphorus atom
P- Phosphorus atom anion
S- Sulfur atom anion
S- Sulfur atom anion
S+ Sulfur atom cation
S+ Sulfur atom cation
S Sulfur atom
S Sulfur atom
Cl- Chlorine atom anion
Cl- Chlorine atom anion
Cl Chlorine atom
Cl Chlorine atom
Cl Chlorine atom
Cl+ Chlorine atom cation
Cl+ Chlorine atom cation
Ar+ Argon atom cation
Ar- Argon atom anion
Ar Argon atom
K+ Potassium atom cation
K- Potassium atom anion
K Potassium atom
Ca- Calcium atom anion
Ca+ Calcium atom cation
Sc Scandium atom
Sc+ Scandium cation
V+ Vanadium atom cation
V Vanadium atom
Cu- Copper atom anion
Cu+ Copper atom cation
Zn Zinc atom
Ga Gallium atom
Ga Gallium atom
Ga+ Gallium atom cation
Ga+ Gallium atom cation
Ga- Gallium atom anion
Ga- Gallium atom anion
Ge+ Germanium cation
Ge+ Germanium cation
Ge- Germanium anion
Ge- Germanium anion
Ge Germanium atom
Ge Germanium atom
As- Arsenic anion
As Arsenic atomic
As+ Arsenic cation
As+ Arsenic cation
Se- Selenium atom anion
Se- Selenium atom anion
Se Selenium atom
Se+ Selenium atom cation
Se+ Selenium atom cation
Br Bromine atom
Br+ Bromine atom cation
Br+ Bromine atom cation
Br- Bromine atom anion
Br- Bromine atom anion
Kr Krypton atom
Kr+ Krypton cation
H2 Hydrogen diatomic
H2+ Hydrogen cation
H2+ Hydrogen cation
H2- hydrogen diatomic anion
H2- hydrogen diatomic anion
He2+ helium diatomic cation
He2+ helium diatomic cation
HeH+ Helium hydride cation
HeH+ Helium hydride cation
HeLi+ Helium Lithium cation
LiH Lithium Hydride
LiH Lithium Hydride
LiH- lithium hydride anion
Li2- lithium diatomic anion
Li2 Lithium diatomic
LiH+ lithium hydride cation
LiH+ lithium hydride cation
Li2+ lithium diatomic cation
Be2 Beryllium diatomic
BeH+ beryllium monohydride cation
LiBe Lithium Beryllium
Be2- Beryllium diatomic anion
Be2+ Beryllium diatomic cation
BeH beryllium monohydride
BeH- berylium monohydride anion
BH Boron monohydride
B2 Boron diatomic
B2 Boron diatomic
BH+ boron monohydride cation
B2- Boron diatomic anion
B2+ Boron diatomic cation
B2+ Boron diatomic cation
LiB Lithium boride
BeB Beryllium monoboride
LiC Lithium Carbide
C2 Carbon diatomic
C2 Carbon diatomic
CH- methylidyne anion
C2+ carbon diatomic cation
C2+ carbon diatomic cation
CH Methylidyne
BC boron monocarbide
BeC Beryllium Carbide
C2- carbon diatomic anion
BC- boron monocarbide anion
CH+ Methylidyne cation
BN boron nitride
LiN Lithium Nitride
BeN- Beryllium mononitride anion
N2- nitrogen diatomic anion
N2- nitrogen diatomic anion
N2+ diatomic nitrogen cation
N2+ diatomic nitrogen cation
CN- cyanide anion
CN- cyanide anion
CN Cyano radical
CN Cyano radical
CN Cyano radical
NH- Imidogen anion
BN+ boron nitride cation
BeN Beryllium mononitride
N2 Nitrogen diatomic
N2 Nitrogen diatomic
N2 Nitrogen diatomic
BN- boron nitride anion
LiN+ Lithium Nitride cation
BeN+ Beryllium mononitride cation
NH+ imidogen cation
O2 Oxygen diatomic
O2 Oxygen diatomic
NO Nitric oxide
NO Nitric oxide
NO Nitric oxide
BO- boron monoxide anion
OH+ hydoxyl cation
OH+ hydoxyl cation
CO+ carbon monoxide cation
CO+ carbon monoxide cation
CO+ carbon monoxide cation
LiO lithium oxide
BO boron monoxide
O2-- dioxygen dianion
BeO- Beryllium monoxide anion
BeO+ Beryllium monoxide cation
CO- carbon monoxide anion
CO- carbon monoxide anion
O2- oxygen diatomic anion
O2- oxygen diatomic anion
O2+ diatomic oxygen cation
O2+ diatomic oxygen cation
OH- hydroxide anion
OH- hydroxide anion
OH Hydroxyl radical
OH Hydroxyl radical
LiO+ lithium oxide cation
NO- nitric oxide anion
NO- nitric oxide anion
NO+ nitric oxide cation
NO+ nitric oxide cation
LiO- lithium oxide anion
BO+ boron monoxide cation
CO Carbon monoxide
CO Carbon monoxide
BeO beryllium oxide
FO+ fluorine monoxide cation
CF+ carbon monofluoride cation
HF+ hydrogen fluoride cation
HF+ hydrogen fluoride cation
F2 Fluorine diatomic
F2 Fluorine diatomic
LiF+ lithium fluoride cation
LiF+ lithium fluoride cation
NF- nitrogen monofluorine anion
BF Boron monofluoride
BF Boron monofluoride
F2- flourine diatomic anion
F2- flourine diatomic anion
F2+ flourine diatomic cation
F2+ flourine diatomic cation
HF- hydrogen fluoride anion
HF Hydrogen fluoride
HF Hydrogen fluoride
BF+ Boron monofluoride cation
NF+ nitrogen monofluoirde cation
CF Fluoromethylidyne
CF Fluoromethylidyne
LiF lithium fluoride
FO- flourine oxide anion
BeF- Beryllium monofluoride anion
BeF- Beryllium monofluoride anion
BeF+ Beryllium monofluoride cation
FO Oxygen monofluoride
LiF- lithium fluoride anion
BF- Boron monofluoride anion
NF nitrogen fluoride
NF nitrogen fluoride
DF Hydrofluoric acid-d
NeH+ neon hydrogen cation
LiNe+ Lithium Neon cation
Ne2 Neon diatomic
NeH neon hydrogen
Ne2+ Neon diatomic cation
NaBe Sodium Beryllium
NaF- sodium fluoride anion
Na2+ sodium diatomic cation
Na2+ sodium diatomic cation
NaLi+ lithium sodium cation
NaO- sodium oxide anion
NaO+ sodium oxide cation
NaH+ sodium hydride cation
NaH+ sodium hydride cation
NaF+ sodium fluoride cation
NaF+ sodium fluoride cation
Na2- sodium diatomic anion
Na2- sodium diatomic anion
NaO sodium monoxide
NaLi lithium sodium
NaLi lithium sodium
NaH- sodium hydride anion
NaF sodium fluoride
Na2 Sodium diatomic
Na2 Sodium diatomic
Mg2 Magnesium diatomic
MgH- magnesium monohydride anion
MgF- magnesium fluoride anion
LiMg Lithium magnesium
MgO magnesium oxide
Mg2- magnesium diatomic anion
Mg2+ magnesium diatomic cation
MgH+ magnesium monohydride cation
MgF+ magnesium fluoride cation
MgF+ magnesium fluoride cation
MgO- magnesium oxide anion
BeMg Beryllium Magnesium
MgH magnesium monohydride
MgO+ magnesium oxide cation
MgN Magnesium Nitride
NaMg Sodium Magnesium
BAl Boron Aluminum
LiAl Lithium Aluminum
Al2- aluminum diatomic anion
AlN+ aluminum mononitride cation
AlF- Aluminum monofluoride anion
AlF+ Aluminum monofluoride cation
NaAl Sodium aluminum
AlN- aluminum mononitride anion
AlC Aluminum carbide
Al2 Aluminum diatomic
Al2 Aluminum diatomic
AlO- Aluminum monoxide anion
AlO+ aluminum monoxide cation
AlH- aluminum monohydride anion
AlH+ aluminum monohydride cation
AlF Aluminum monofluoride
AlF Aluminum monofluoride
Al2+ aluminum diatomic cation
AlN Aluminum nitride
SiH Silylidyne
SiH Silylidyne
SiH Silylidyne
SiF- silicon monofluoride anion
SiF- silicon monofluoride anion
SiO- silicon monoxide anion
SiC+ silicon monocarbide cation
SiH+ silicon monohydride cation
SiH+ silicon monohydride cation
Si2- silcon diatomic anion
SiO Silicon monoxide
SiO Silicon monoxide
SiN+ silicon mononitride cation
SiH- silicon monohydride anion
SiH- silicon monohydride anion
SiC- silicon monocarbide anion
SiN- silicon mononitride anion
SiF silicon monofluoride
SiO+ silicon monoxide cation
Si2+ silcon diatomic cation
SiF+ silicon monofluoride cation
SiF+ silicon monofluoride cation
BSi Boron silicide
SiC silicon monocarbide
CP- carbon monophosphide anion
CP+ carbon monophosphide cation
PO Phosphorus monoxide
PO Phosphorus monoxide
PO Phosphorus monoxide
AlP Aluminum monophosphide
P2+ phosphorus diatomic cation
LiP Lithium monophosphide
PH- phosphorus monohydride anion
PF+ phosphorus monofluoride cation
PN+ phosphorus nitride cation
P2- phosphorus diatomic anion
P2 Phosphorus diatomic
P2 Phosphorus diatomic
SiP- Silicon monophosphide anion
SiP Silicon monophosphide
SiP Silicon monophosphide
PO+ phosphorus monoxide cation
PH phosphorus monohydride
PN- phosphorus nitride anion
PN Phosphorus mononitride
SiP+ Silicon monophosphide cation
PH+ phosphorus monohydride cation
PO- phosphorus monoxide anion
PF- phosphorus monofluoride anion
BP Boron monophosphide
SF+ sulfur monofluoride cation
SF+ sulfur monofluoride cation
SO Sulfur monoxide
SO Sulfur monoxide
HS- mercapto anion
HS- mercapto anion
S2 Sulfur diatomic
S2 Sulfur diatomic
BS- boron monosulfide anion
AlS+ aluminum monosulfide cation
NS+ nitrogen sulfide cation
LiS+ Lithium sulfide cation
PS phosphorus sulfide
SiS+ silicon monosulfide cation
CS- carbon monosulfide anion
HS+ sulfur monohydride cation
HS+ sulfur monohydride cation
SF- sulfur monofluoride anion
BeS- Beryllium monosulfide anion
BeS+ Beryllium monosulfide cation
SO- sulfur monoxide anion
S2- sulfur diatomic anion
S2+ sulfur diatomic cation
NaS Sodium sulfide
MgS- magnesium sulfide anion
MgS+ magnesium sulfide cation
PS+ phosphorus monosulfide cation
SiS- silicon monosulfide anion
SiS silicon monosulfide
SiS silicon monosulfide
SF Monosulfur monofluoride
SF Monosulfur monofluoride
SO+ sulfur monoxide cation
SO+ sulfur monoxide cation
PS- phosphorus monosulfide anion
AlS- aluminum monosulfide anion
LiS Lithium monosulfide
CS+ carbon monosulfide cation
BS+ boron monosulfide cation
HS Mercapto radical
HS Mercapto radical
NS- nitrogen sulfide anion
NS- nitrogen sulfide anion
NS Mononitrogen monosulfide
NS Mononitrogen monosulfide
NCl+ nitrogen monochloride cation
HCl- hydrogen chloride anion
NaCl- sodium chloride anion
NaCl Sodium Chloride
SiCl- silicon monochloride anion
MgCl- magnesium monochloride anion
ClO Monochlorine monoxide
ClO Monochlorine monoxide
ClO Monochlorine monoxide
NCl- nitrogen monochloride anion
ClF+ clorine monofluoride cation
ClF+ clorine monofluoride cation
HCl Hydrogen chloride
HCl Hydrogen chloride
NaCl+ sodium chloride cation
Cl2 Chlorine diatomic
Cl2 Chlorine diatomic
CCl+ carbon monochloride cation
LiCl- lithium chloride anion
AlCl- aluminum monochloride anion
BeCl beryllium monochloride
SiCl+ silicon monochloride cation
ClO+ chlorine monoxide cation
ClO+ chlorine monoxide cation
SCl sulfur monochloride
SCl sulfur monochloride
PCl- phosphorus monochloride anion
Cl2- chlorine diatomic anion
Cl2- chlorine diatomic anion
Cl2+ chlorine diatomic cation
Cl2+ chlorine diatomic cation
LiCl+ lithium chloride cation
ClF- clorine monofluoride anion
ClF Chlorine monofluoride
ClF Chlorine monofluoride
BeCl+ beryllium monochloride cation
AlCl+ aluminum monochloride cation
SCl- sulfur monochloride anion
BCl- boron monochloride anion
CCl- carbon monochloride anion
AlCl Aluminum monochloride
NCl nitrogen monochloride
NCl nitrogen monochloride
HCl+ hydrogen chloride cation
HCl+ hydrogen chloride cation
LiCl lithium chloride
SiCl Clorosilylidyne
BeCl- beryllium monochloride anion
MgCl+ magnesium monochloride cation
ClO- chlorine monoxide anion
SCl+ sulfur monochloride cation
SCl+ sulfur monochloride cation
BCl+ boron monochloride cation
PCl+ phosphorus monochloride cation
ArH+ Argon hydride cation
ArH+ Argon hydride cation
Ar2 Argon diatomic
Ar2+ Argon diatomic cation
NaK Sodium Potassium
KCl Potassium Chloride
LiK Lithium Potassium
KH Potassium hydride
KF Potassium Fluoride
KO Potassium monoxide
K2 Potassium diatomic
KH+ Potassium hydrogen cation
KO+ Potassium monoxide cation
NaK+ Sodium Potassium diatomic cation
Ca2 Calcium diatomic
CaH+ Calcium monohydride cation
CaC Calcium monocarbide
CaO Calcium monoxide
CaH Calcium monohydride
CaS Calcium sulfide
ScO Scandium monoxide
ScF Scandium monofluoride
ScH Scandium monohydride
ScH+ Scandium monohydride cation
TiO Titanium monoxide
TiH Titanium monohydride
TiCl Titanium Monochloride
VO Vanadium monoxide
CrH Chromium hydride
CrH+ Chromium hydride cation
ZnF Zinc monofluoride
ZnH+ Zinc, protonated
GaH+ Gallium monohydride cation
GaH+ Gallium monohydride cation
GaF+ Gallium monofluoride cation
GaS Gallium monosulfide
GaO Gallium monoxide
GaP Gallium monophosphide
GaH Gallium monohydride
GaH Gallium monohydride
GaF Gallium monofluoride
GaCl Gallium monochloride
BGa Boron Gallium
Ga2 Gallium diatomic
AlGa Aluminum Gallium
GaN Gallium mononitride
GaCl+ Gallium monochloride cation
GeO+ Germanium monoxide cation
GeH germylidene
GeF+ Germanium monofluoride cation
GeO Germanium monoxide
GeCl Germanium monochloride
Ge2 Germanium diatomic
GeCl+ Germanium monochloride cation
GeF Germanium monofluoride
GeF Germanium monofluoride
SiGe Silicon Germanium
GeS Germanium monosulfide
GeC Germanium monocarbide
GeH+ Germaniun monohyrdide cation
AsF Arsenic monofluoride
AsF Arsenic monofluoride
As2 Arsenic diatomic
AsP Arsenic monophosphide
AsH Arsenic monohydride
AsH Arsenic monohydride
AsS Arsenic monosulfide
AsCl Arsenic monochloride
AsH+ Arsenic monohydride cation
GaAs Gallium arsenide
AsO Arsenic monoxide
AsN Arsenic mononitride
LiSe Lithium monoselenide
CSe+ Carbon monoselenide cation
HSe Selenium monohydride
SeO+ selenium monoxide cation
GeSe Germanium monoselenide
SeS- selenium monosulfide anion
NSe Nitrogen monoselenide
SeCl Selenium monochloride
CSe- Carbon monoselenide anion
CSe Carbon monoselenide
HSe- selenium monohydride anion
HSe- selenium monohydride anion
HSe+ selenium monohydride cation
HSe+ selenium monohydride cation
SeS+ selenium monosulfide cation
SeO- selenium monoxide anion
PSe Phosphorus monoselenide
SiSe Silicon Monoselenide
Se2 Selenium diatomic
SeF Selenium monofluoride
AsSe Arsenic monoselenide
Se2- selenium diatomic anion
Se2+ selenium diatomic cation
SiSe+ Silicon Monoselenide cation
SeO Selenium monoxide
LiBr Lithium Bromide
Br2- bromine diatomic anion
Br2- bromine diatomic anion
Br2 Bromine diatomic
CaBr Calcium monobromide
AlBr Aluminum monobromide
PBr Phosphorus monobromide
SBr+ Sulfur monobromide cation
SeBr Selenium monobromide
BrCl+ bromine chloride cation
BrO+ Bromine monoxide cation
BrCl- bromine chloride anion
BrF Bromine monofluoride
BBr Boron monobromide
HBr+ hydrogen bromide cation
HBr+ hydrogen bromide cation
NaBr- sodium bromide anion
LiBr- lithium bromide anion
BrCl Bromine monochloride
BrF- bromine fluoride anion
NBr nitrogen monobromide
BrO Bromine monoxide
SiBr+ Silicon monobromide cation
HBr- hydrogen bromide anion
HBr hydrogen bromide
LiBr+ lithium bromide cation
NaBr+ sodium bromide cation
CBr Carbon monobromide
Br2+ bromine diatomic cation
Br2+ bromine diatomic cation
KBr Potassium Bromide
BrF+ bromine fluoride cation
BrO- Bromine monoxide anion
SiBr Silicon monobromide
SBr Sulfur monobromide radical
GaBr Gallium monobromide
KrH+ Protonated Krypton
H3+ hydrogen trimer cation
Li3+ Lithium trimer cation
Li3 Lithium trimer
BeH2 beryllium dihydride
BeH2 beryllium dihydride
BeH2+ Beryllium dihydride cation
BeH2+ Beryllium dihydride cation
BeH2+ Beryllium dihydride cation
BH2- boron dihydride anion
BH2+ Boron dihydride cation
C2H- Ethynyl anion
C2H- Ethynyl anion
C3 carbon trimer
C3 carbon trimer
C3 carbon trimer
C3 carbon trimer
CH2 Methylene
CH2 Methylene
CH2 Methylene
C2H+ Ethynyl cation
C3+ carbon trimer cation
CH2- methylene anion
CH2- methylene anion
CH2+ methylene cation
CH2+ methylene cation
C2H Ethynyl radical
CNN Diazocarbene
NNH+ Dinitrogen monohydride cation
HNC+ hydrogen isocyanide cation
NCN Cyanoimidogen
N3- azide anion
N3 azide radical
CN2 3H-Diazirin-3-ylidene
LiCN lithium cyanide
LiCN lithium cyanide
LiCN lithium cyanide
HCN Hydrogen cyanide
HCN Hydrogen cyanide
N3+ azide cation
N3+ azide cation
NH2 Amino radical
HCN- Hydrogen cyanide anion
HCN+ hydrogen cyanide cation
HCN+ hydrogen cyanide cation
NH2- amino anion
NH2+ Amino cation
BO2- Boron dioxide anion
NOH Hydroxyimidogen
HBO Boron hydride oxide
LiOH lithium hydroxide
Li2O dilithium oxide
CCO Dicarbon monoxide
NO2- Nitrogen dioxide anion
NO2 Nitrogen dioxide
O3 Ozone
O3 Ozone
HO2 Hydroperoxy radical
BO2+ Boron dioxide cation
HNO- Nitrosyl hydride anion
HDO Water-d1
HDO Water-d1
N2O+ Nitrous oxide cation
H2O Water
H2O Water
CO2- Carbon dioxide anion
HO2- Hydroperoxy anion
COH Hydroxymethylidyne
HNO+ Nitrosyl hydride cation
HNO+ Nitrosyl hydride cation
LiO2 Lithium dioxide
H2O- water anion
H2O- water anion
H2O- water anion
N2O Nitrous oxide
N2O Nitrous oxide
O3+ Ozone cation
HCO- formyl anion
HCO- formyl anion
HCO+ Formyl cation
HCO+ Formyl cation
CO2 Carbon dioxide
CO2 Carbon dioxide
NOH+ O-protonated nitric oxide
NCO isocyanato radical
COH+ Carbon Monoxide, protonated
HNO Nitrosyl hydride
HNO Nitrosyl hydride
BeOH beryllium monohydroxide
BeOH beryllium monohydroxide
HCO Formyl radical
HO2+ Hydroperoxy cation
CO2+ Carbon dioxide cation
CO2+ Carbon dioxide cation
Li2O+ dilithium oxide cation
Li2O+ dilithium oxide cation
NO2+ Nitrogen dioxide cation
H2O+ water cation
H2O+ water cation
N2O- Nitrous oxide anion
H2F+ dihydrogen fluoride cation
FCO Carbonyl fluoride
CF2 Difluoromethylene
FOO+ Fluorine dioxide cation
F3- trifluoride anion
CF2+ Difluoromethylene cation
CF2- Difluoromethylene anion
FNO Nitrosyl fluoride
FNO Nitrosyl fluoride
HOF Hypofluorous acid
BF2 Boron difluoride radical
CNF iso cyanogen fluoride
NF2+ Difluoroamino cation
F2H+ Fluorine, protonated
BeF2 Beryllium fluoride
HCF Fluoromethylene
FCO+ Carbonyl fluoride cation
FHF- Hydrogen difluoride anion
FBO Boron monofluoride monoxide
Na2O disodium monoxide
Na2O disodium monoxide
NaCN Sodium Cyanide
NaCN Sodium Cyanide
NaCN Sodium Cyanide
NaO2 Sodium superoxide
MgF2 Magnesium fluoride
MgH2 magnesium dihydride
MgH2 magnesium dihydride
AlCN Aluminum monocyanide
AlNC Aluminum isocyanide
AlH2+ aluminum dihydride cation
AlH2- aluminum dihydride anion
SiH2+ silicon dihydride cation
HSiF fluorosilylene
SiF2+ Silicon difluoride cation
SiC2 Silicon dicarbide
SiH2 silicon dihydride
SiF2 Silicon difluoride
SiH2- silicon dihydride anion
PH2+ Phosphino cation
PF2+ Phosphorus difluoride cation
HPO+ Hydrogen phosphorus oxide cation
PF2 Phosphorus difluoride
PH2- Phosphino anion
PPO Phosphorus oxide phosphide
HCP+ Phosphaethyne cation
PO2+ Phosphorus dioxide cation
S3+ Sulfur trimer cation
H2S Hydrogen sulfide
H2S Hydrogen sulfide
OCS Carbonyl sulfide
NNS Nitrogen sulfide
SNO Nitrogen oxide sulfide
HCS- Thioformyl anion
SF2- sulfur difluoride anion
SF2- sulfur difluoride anion
HS2 Thiosulfeno radical
HSO+ Sulfur Monoxide, S-protonated
HCS+ Thioformyl cation
SSO Disulfur monoxide
SOH+ Sulfur Monoxide, protonated
Li2S dilithium sulfide
Li2S dilithium sulfide
FNS Thionitrosyl fluoride
SO2- Sulfur dioxide anion
SO2 Sulfur dioxide
SO2 Sulfur dioxide
H2S+ Hydrogen sulfide cation
H2S+ Hydrogen sulfide cation
Na2S Sodium sulfide
Na2S Sodium sulfide
SiS2 Silicon disulfide
SF2 sulfur difluoride
FSN Thiazyl fluoride
NSO sulfinyl amidogen
H2S- Hydrogen sulfide anion
HNS Sulfur imide
S3 Sulfur trimer
S3 Sulfur trimer
S3 Sulfur trimer
CS2 Carbon disulfide
CS2 Carbon disulfide
OCS+ Carbonyl sulfide cation
CS2- Carbon disulfide anion
CS2+ Carbon disulfide cation
S3- Sulfur trimer anion
HNS- Sulfur imide anion
SF2+ sulfur difluoride cation
HBS hydrogen boron sulfide
SOH Sulfur Hydroxide
HCS Thioformyl radical
H2Cl+ dihydrogen monochloride cation
H2Cl+ dihydrogen monochloride cation
FClO chlorosyl fluoride
Cl2H+ Chlorine, protonated
CCl2+ dichloromethylene cation
ClCO carbonyl monochloride
CCl2- dichloromethylene anion
CFCl chlorofluoromethylene
BeCl2 Beryllium chloride
SFCl Sulfur chloride fluoride
ClFH+ Chlorine fluoride, F-protonated
FClH+ Chlorine fluoride, Cl-protonated
ClOO+ chloroperoxy cation
SCl2 Sulfur dichloride
HOCl hypochlorous acid
OClO- Chlorine dioxide anion
OClO Chlorine dioxide
OPCl Phosphorus oxychloride
Cl3- trichloride anion
HSiCl Chlorosilylene
ClOF Chlorine hypofluorite
ClSO Sulfur chloride oxide
ClCN chlorocyanogen
HCCl Chloromethylene
ClNO Nitrosyl chloride
HOCl+ hypochlorous acid cation
H2Ar H2 Ar dimer
KOH Potassium hydroxide
KCN Potassium cyanide
KCN Potassium cyanide
KCN Potassium cyanide
CaCl2 Calcium Chloride
CaH2 Calcium Hydride
TiO2 Titanium dioxide
CuF2 Copper difluoride
ZnCl2 Zinc dichloride
ZnCl2 Zinc dichloride
ZnCN Zinc monocyanide
ZnNC Zinc isocyanide
GeF2 Germanium difluoride
GeS2 Germanium disulfide
GeCl2 Germanium dichloride
GeH2- germylene anion
GeH2 germylene
GeO2 Germanium dioxide
AsO2 Aresenic dioxide
AsH2 Arsenic dihydride
AsH2+ Arsenic dihydride cation
SCSe Carbon sulfide selenide
SeCl2 Selenium Dichloride
SeF2 Selenium difluoride
H2Se Hydrogen selenide
H2Se+ Hydrogen selenide cation
H2Se+ Hydrogen selenide cation
CSe2 Carbon diselenide
SeO2 Selenium dioxide
OCSe Carbonyl selenide
SeO2+ Selenium dioxide cation
BrOCl Bromine hypochlorite
OBrO Bromine dioxide radical
OBrO Bromine dioxide radical
HOBr+ Hypobromous acid cation
BrNO Nitrosyl bromide
CaBr2 Calcium dibromide
SBr2 Sulfur dibromide
HSiBr monobromosilylene
BrCN Cyanogen bromide
SeBr2 Selenium dibromide
BrOBr Bromine oxide
Br3- tribromide anion
CHBr bromomethylene
CBr2 dibromomethylene
BeBr2 Beryllium bromide
HOBr Hypobromous acid
H2Br+ protonated hydrogen bromide
BrOO Bromine dioxide
KrF2 Krypton difluoride
BH3 boron trihydride
BH3 boron trihydride
HBBH Diborane(2)
BH3- boron trihydride anion
BH3+ boron trihydride cation
BH3+ boron trihydride cation
BH3+ boron trihydride cation
BH3+ boron trihydride cation
BH3+ boron trihydride cation
BH3+ boron trihydride cation
CH3 Methyl radical
C4 Carbon tetramer
CH3- methyl anion
CH3- methyl anion
CCH2 vinylidene
C2H2+ acetylene cation
C2H2+ acetylene cation
C2H2+ acetylene cation
C4+ Carbon tetramer cation
CH3+ methyl cation
H2CC- vinylidene anion
HCCH- acetylene anion
HCCH- acetylene anion
C2H2 Acetylene
C2N2+ Cyanogen cation
H2CN Dihydrogen cyanide radical
CNH2+ N-protonated hydrogen isocyanide
HN3+ Hydrazoic acid cation
HN3 hydrogen azide
HN3 hydrogen azide
H2NN Isodiazene
C2N2 Cyanogen
H2CN+ hydrocyanonium cation
CNH2 Aminomethylidyne radical
LiNH2 lithium amide
NH3+ ammonia cation
NH3+ ammonia cation
Li3N trilithium nitride
Li3N trilithium nitride
HCNH+ N-protonated HCN
N2H2 (E)-diazene
N2H2 (E)-diazene
HBNH Boranimine
HCCN cyanomethylene
HCCN cyanomethylene
NH3- Ammonia anion
NH3 Ammonia
NH3 Ammonia
N2H2 (Z)-Diazene
N2H2+ trans-diazene cation
HCNH methyleneazane
HCNH methyleneazane
NNOH+ Nitrous Oxide, O-protonated
HOCH hydroxycarbene
HOCH hydroxycarbene
H2O2+ Hydrogen peroxide cation
H2O2+ Hydrogen peroxide cation
H2NO nitroxide
H2NO nitroxide
O3H+ protonated ozone
O3H+ protonated ozone
O3H+ protonated ozone
C3O Tricarbon monoxide
H2CO- formaldehyde anion
H2CO- formaldehyde anion
H2CO- formaldehyde anion
H2CO Formaldehyde
H2CO Formaldehyde
HCNO fulminic acid
HCNO fulminic acid
H3O+ hydronium cation
H3O+ hydronium cation
HCCO ketenyl radical
HCCO ketenyl radical
HCOO formate neutral radical
HOCO Hydrocarboxyl radical
HOCO Hydrocarboxyl radical
HOCO Hydrocarboxyl radical
HOCO Hydrocarboxyl radical
ONNO NO dimer
ONNO NO dimer
HNO2+ nitrous acid cation
H2O2 Hydrogen peroxide
H2O2 Hydrogen peroxide
H2CO+ formaldehyde cation
H2CO+ formaldehyde cation
CO3-- carbonate
HCO2- formate anion
NO3- nitrate anion
NO3+ nitrogen trioxide cation
HOCO+ Hydrocarboxyl cation
HNNO+ Nitrous oxide, N-protonated
H2OO water oxide
CHF2+ difluoromethyl cation
CF2O+ Carbonic difluoride cation
NHF2 difluoramine
CH2F+ fluoromethyl cation
CF2O Carbonic difluoride
BF3- Borane, trifluoro- anion
NH2F monofluoroamine
CF3- Trifluoromethyl anion
HFCO+ formyl fluoride cation
CHF2 difluoromethyl radical
HCCF+ fluoroacetylene cation
FNO2 Nitryl fluoride
FOOF Perfluoroperoxide
NF3 Nitrogen trifluoride
BF3 Borane, trifluoro-
Li2F2 Lithium fluoride dimer
FONO Nitrosyl hypofluorite
CH2F fluoromethyl radical
CH2F fluoromethyl radical
HCCF Fluoroacetylene
CF3+ Trifluoromethyl cation
CF3+ Trifluoromethyl cation
BF3+ boron trifluoride cation
BF3+ boron trifluoride cation
BF3+ boron trifluoride cation
NF3- Nitrogen trifluoride anion
NF3- Nitrogen trifluoride anion
AlF3 Aluminum trifluoride
AlH3- aluminum trihydride anion
AlH3- aluminum trihydride anion
AlH3 aluminum trihydride
AlH3 aluminum trihydride
AlH3+ aluminum trihydride cation
AlH3+ aluminum trihydride cation
SiF3 Silicon trifluoride radical
SiH3+ Silyl cation
SiH3+ Silyl cation
SiH3- Silyl anion
Si2H2 disilyne
Si2H2 disilyne
Si2H2 disilyne
Si2H2 disilyne
SiH3 Silyl radical
SiF3+ Silicon trifluoride cation
PH3 Phosphine
PH3 Phosphine
PH3+ Phosphine cation
PH3+ Phosphine cation
P4 Phosphorus tetramer
SO2H+ protonated sulfur dioxide
H2S2+ hydrogen disulfide cation
H2CS+ thioformaldehyde cation
S4 Sulfur tetramer
S4 Sulfur tetramer
S4 Sulfur tetramer
HOSH hydrogen thioperoxide
H2CS Thioformaldehyde
H2CS Thioformaldehyde
F2SO Thionyl Fluoride
SO3- Sulfur trioxide anion
SO3- Sulfur trioxide anion
SO3 Sulfur trioxide
HSCN thiocyanic acid
CS3-- Carbonotrithioate
SF3 Sulfur trifluoride
H2S2 Disulfane
H2S2 Disulfane
HNCS Isothiocyanic acid
HNCS Isothiocyanic acid
SO3-- Sulfate dianion
H2CS- thioformaldehyde anion
H2CS- thioformaldehyde anion
H3S+ Sulfonium cation
S2N2 Disulfur dinitride
BClF2 Chlorodifluoroborane
BCl3 Borane, trichloro-
BCl3 Borane, trichloro-
NH2Cl chloramine
NH2Cl chloramine
ClF3 Chlorine trifluoride
ClF3 Chlorine trifluoride
SSCl2 Thiothionyl chloride
ClONO chlorine nitrite
ClO2F Chloryl fluoride
HOClO Chlorous acid
Cl2CS Thiophosgene
CFCl2 dichlorofluoromethyl radical
C2Cl2+ dichloroacetylene cation
HCCCl Chloroacetylene
CCl3+ Trichloromethyl cation
COHCl Formyl chloride
COFCl Carbonic chloride fluoride
CHCl2+ dichloromethyl cation
BCl3+ Boron Trichloride cation
CHFCl+ Chlorofluoromethyl cation
CHFCl Chlorofluoromethyl radical
SiCl3+ trichlorosilyl cation
CF2Cl difluorochloromethyl radical
NHCl2 dichloroamine
CHCl2 dichloromethyl radical
CHCl2 dichloromethyl radical
ClOOCl Dichlorine dioxide
NCl3 nitrogen trichloride
NCl3 nitrogen trichloride
CCl3- Trichloromethyl anion
CH2Cl+ chloromethyl cation
K2O2 dipotassium dioxide
ScH3 Scandium trihydride
ScH3 Scandium trihydride
ScF3 Scandium trifluoride
GaF3 Gallium trifluoride
GaH3 Gallium trihydride
GaCl3 Gallium trichloride
GeH3 Germyl radical
GeH3+ germyl cation
As4 Arsenic tetramer
AsCl3 Arsenous trichloride
AsH3 Arsine
AsH3 Arsine
AsH4+ Arsonium
AsF3 Arsenic trifluoride
AsH3+ Arsine cation
AsH3+ Arsine cation
H2CSe Selenoformaldehyde
SeO3 selenium trioxide
H2Se2 hydrogen diselenide
H3Se+ Hydrogen Selenide, protonated
NBr3 Nitrogen Tribromide
CBr3 tribromomethyl radical
PBr3 Phosphorus tribromide
COHBr Formyl bromide
CH2Cl chloromethyl radical
CH2Cl chloromethyl radical
CH2Cl chloromethyl radical
HCCBr bromoacetylene
COBr2 Carbonic dibromide
CH2Br bromomethyl radical
CH2Br bromomethyl radical
BrONO Bromine nitrite
CHBr2 dibromomethyl radical
BBr3 Boron tribromide
BH4- borohydride anion
BH4- borohydride anion
BH4 borohydride
CH2BH methyleneborane
C2H3 vinyl
CH3Li methyl lithium
CH2D2 methane-d2
CHD3 methane-d3
C2H3- vinyl anion
CH4+ Methane cation
CH4+ Methane cation
CH4+ Methane cation
CH4 Methane
CH4 Methane
CD4 methane-d4
CH3D methane-d
C2H3+ vinyl cation
C2H3+ vinyl cation
C2H3+ vinyl cation
C2H3+ vinyl cation
CH4- Methane anion
CH4- Methane anion
CH2NH Methanimine
HCCCN+ Cyanoacetylene cation
CH2NH+ Methanimine cation
NH2CN cyanamide
NH4+ ammonium cation
NH4+ ammonium cation
HNCNH diiminomethane
NH4 Ammonium radical
CHNH2 aminomethylene
HNNNH+ 1,2-Triazadienium
CH2NN diazomethane
NH2NN+ hydrazoic acid, protonated
CHNH2+ Aminocarbene cation
NH2NO Nitrosamide
C3O2+ Carbon suboxide cation
HCO3- bicarbonate anion
CH2CO+ Ketene cation
H3O2+ hydrogen peroxide, protonated
NH2OH hydroxylamine
H2COO+ dioxymethyl cation
CH2CO Ketene
HCOOH Formic acid
HCOOH Formic acid
HCOOH Formic acid
CH2OH Hydroxymethyl radical
CH3O+ Methoxy cation
HNO3 Nitric acid
Be(OH)2 Beryllium hydroxide
Be(OH)2 Beryllium hydroxide
Be(OH)2 Beryllium hydroxide
H2O3 Hydrogen trioxide
BeCO3 Beryllium Carbonate
H2COO Dioxymethyl radical
NH3O Ammonia Oxide
C2H2O Oxirene
CH2OH+ hydroxymethyl cation
CH2OH+ hydroxymethyl cation
B2O3 diboron trioxide
B2O3 diboron trioxide
CH3O- methoxy anion
C3O2 Carbon suboxide
NH2OH+ Hydroxylamine cation
ONONO Nitrosyl nitrite
CH3F+ methyl fluoride cation
CD3F methylfluoride-d3
CHF3 Methane, trifluoro-
CH3F Methyl fluoride
NF3H+ protonated nitrogen trifluoride
BF4- tetrafluoroboron anion
CH2F2 Methane, difluoro-
MgCO3 Magnesium Carbonate
Mg(OH)2 Magnesium dihydroxide
Mg(OH)2 Magnesium dihydroxide
AlH4- Aluminum tetrahydride anion
SiH2F2 difluorosilane
SiH3F monofluorosilane
SiHF3 trifluorosilane
SiH4 Silane
SiH4 Silane
SiH2D2 silane-d2
PO4--- phosphate
PH4+ phosphonium cation
PH4+ phosphonium cation
H2POH Phosphinous acid
H2POH Phosphinous acid
PH4 Phosphoranyl radical
H3PO Phosphine oxide
CH2PH Phosphaethene
HSO3 Hydroxysulfonyl radical
SO2F2 Sulfuryl fluoride
NH2SH Thiohydroxylamine
NH2SH Thiohydroxylamine
CH2CS Thioketene
SO4-- sulfate
H2CSH+ Thioformaldehyde, protonated
SF4 Sulfur tetrafluoride
HSSSH trisulfane
HSSSH trisulfane
NH3S sulfidoazane
SCl4 Sulfur tetrachloride
CDCl3 trichloromethane-d
CH3Cl+ Methyl chloride cation
CF3Cl Methane, chlorotrifluoro-
CH2Cl2 Methylene chloride
ClONO2 Chlorine nitrate
NH3Cl+ protonated monochloroammonia
CH3Cl Methyl chloride
CF2Cl2 difluorodichloromethane
SiH2Cl2 dichlorosilane
CD3Cl methyl chloride d3
HClO3 Chloric Acid
HClO3 Chloric Acid
HClO3 Chloric Acid
ClOF3 Chlorine trifluoride oxide
SiH3Cl chlorosilane
TiF4 Titanium tetrafluoride
GeH3Cl monochlorogermane
GeCl4 Germanium Tetrachloride
GeH3F monofluorogermane
GeF4 Germanium tetrafluoride
GeF4 Germanium tetrafluoride
GeH4 Germane
AsF3H+ Arsenic trifluoride, protonated
SeF4 Selenium tetrafluoride
CH2BrCl Methane, bromochloro-
CBr2F2 Methane, dibromodifluoro-
CBrCl3 Methane, bromotrichloro-
CH3Br methyl bromide
CFBr3 fluorotribromomethane
SiBr4 Silicon tetrabromide
CHBr2F dibromofluoromethane
CHBrF2 Methane, bromodifluoro-
CH2Br2 dibromomethane
CF3Br Bromotrifluoromethane
CBrCl2F bromodichlorofluoromethane
CHClBr2 Methane, dibromochloro-
CBr2ClF dibromochlorofluoromethane
CBrClF2 Methane, bromochlorodifluoro-
CBrClF2 Methane, bromochlorodifluoro-
CBr4 Carbon tetrabromide
CHFClBr fluorochlorobromomethane
CBr3Cl tribromochloromethane
CBr2Cl2 dibromodichloromethane
SiH3Br bromosilane
CHBrCl2 Methane, bromodichloro-
CH2BrF Methane, bromofluoro-
BrONO2 Bromine nitrate
HBHHBH Diborane(4) C2V
B2H4 Diborane(4) D2d
LiBH4 Lithium borohydride
C2H4+ Ethylene cation
C2H4+ Ethylene cation
C2H4+ Ethylene cation
C3H3+ cyclopropenyl cation
C2H4- Ethylene anion
C2H4- Ethylene anion
C2H4 Ethylene
C4H2 Diacetylene
C3H3- Propargyl anion
C3H3+ Propargyl cation
C4H2+ diacetlyene cation
C4H2+ diacetlyene cation
C3H3 cyclopropenyl radical
CH3CH methylmethylene
NCNH3+ Cyanamide, protonated
HNCNH2+ diiminomethane, protonated
CH2NH2+ methyleneamine cation
CH2NH2+ methyleneamine cation
N2H4+ hydrazine cation
HCNCH2+ 2H-Azirine cation
CH3CN- acetonitrile anion
CH3CN- acetonitrile anion
CH3CN+ Acetonitrile cation
CH3CN+ Acetonitrile cation
H2CNCN cyanamide, methylene
NH2CNH+ cyanamide, cn protonated
H2CCNH Ethenimine
N2H4 Hydrazine
CHNHCH 1H-Azirine
CH3CN Acetonitrile
HCCNH2 Ethynamine
CHNCH2 2H-Azirine
BH2NH2 Boranamine
H2CNCH methyleneaminomethylene
NH3CN+ cyanamide, amine protonated
HNCCNH Ethenediimine
CH2BOH hydroxy(methylene)borane
H2OH2O water dimer
H2OH2O water dimer
CH2OOH CH2OOH radical
NH2NO2 nitramide
N2O4 Dinitrogen tetroxide
CH3OH- Methyl alcohol anion
CH3OH- Methyl alcohol anion
C2H2O2 Ethanedial
CH3NO nitrosomethane
CH3BO Borane, methyloxo-
HOONO2 peroxy nitric acid
C3H2O Propadienal
C3H2O Propadienal
NH3OH+ N-protonated hydroxylamine
CH3OH+ Methyl alcohol cation
CH3OH+ Methyl alcohol cation
CH3OH+ Methyl alcohol cation
CH2NOH formaldoxime
CH3OH Methyl alcohol
BH3CO Borane carbonyl
HOCHNH hydroxymethylimine
HOCHNH hydroxymethylimine
HOCHNH hydroxymethylimine
CH2COH+ ketene, protonated
NH2OH2+ protonated hydroxylamine
CHONH2 formamide
CHONH2 formamide
CH3CO+ acetyl cation
CH3OO- methylperoxy anion
H2CO3 Carbonic acid
C2O4-- oxalate anion
H2NO3+ Nitric Acid, Protonated
CH2CHO Vinyloxy radical
CNOH3 1,2-oxaziridine
CF3OH trifluoromethanol
CH2FOH fluoromethanol
C4F2 difluorobutadiyne
CF3OF Trifluoromethylhypofluorite
CH2CHF Ethene, fluoro-
Na2CO3 Sodium Carbonate
NaOCH3 Sodium methoxide
SiF5- silicon pentafluoride anion
Si2H4 Disilene
Si2H4 Disilene
Si2H4 Disilene
SiH3OH silanol
SiH5+ Silane, protonated
N3P3 1,3,5,2,4,6-Triazatriphosphorine
SF5+ pentafluoro sulfur cation
NHCHSH Methanimidothioic acid
HSO4- bisulfate anion
CH3SH Methanethiol
CHSNH2 thioformamide
CH3SH+ Methanethiol cation
H2SO3 Sulfurous acid
SF5 Sulfur pentafluoride
MgSO4 Magnesium Sulfate
HClO4 perchloric acid
NH4Cl Ammonium chloride
ClCOClCO Oxalyl chloride
CFClCClF trans-1,2-dichloro-1,2-difluoroethylene
CHFCHClz (Z)-1-Chloro-2-fluoroethene
CHFCHCl (E)-1-chloro-2-fluoroethene
CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene
CH3ClH+ methyl chloride, protonated
C2H2ClF 1-chloro-1-fluoroethylene
B2Cl4 Diboron tetrachloride
CF2CCl2 difluorodichloroethylene
C2ClF3 Ethene, chlorotrifluoro-
CH3OCl methyl hypochlorite
SOF4 Sulfur tetrafluoride oxide
CH3SeH Methane selenol
CHBrCHBr Ethene, 1,2-dibromo-, (E)-
CH3MgBr Methyl Magnesium Bromide
C2Br4 tetrabromoethene
CHBrCHBr Ethene, 1,2-dibromo-, (Z)-
C3H4 cyclopropene
C2H5- Ethyl anion
CH3CCH propyne
C2H5 Ethyl radical
CH2CCH2 allene
CH2CCH2 allene
CH3BH2 methylborane
CH3NH2+ methyl amine cation
C3H3N+ acrylonitrile cation
N2H5+ protonated hydrazine
CH3NH2 methyl amine
CH2N4 1H-Tetrazole
CH3N3 methyl azide
CH3CHN methylmethaniminyl radical
CH2CHNH vinylazine
CH2CHNH vinylazine
C2H4O Ethylene oxide
CH3NO2 Methane, nitro-
C3H2O2 Propiolic acid
H2CONH2+ protonated formamide
CH2(OH)2 methanediol
CH3CHO Acetaldehyde
H3CO3+ carbonic acid, protonated
NH2CHOH+ Formamide, O-protonated
CHOCOOH oxo acetic acid
C2H2N2O Furazan
CH3COO- acetate anion
H5O2+ Dihydroxonium ion
H2COCH2+ Methyl, (methyleneoxoniumyl)-
HOCH2CN cyanomethanol
CH3CHO+ acetaldehyde cation
C2H4O+ ethylene oxide cation
NH2COOH Carbamic acid
NH2COOH Carbamic acid
CH3NCO methylisocyante
CHOOCHO diformyl ether
CH3OH2+ Methanol, protonated
CF3CHO trifluoroacetaldehyde
CF3COF trifluoroacetyl fluoride
F2CCCF2 tetrafluoroallene
H3AlO3 Aluminum hydroxide
SiH3NH2 Silane, amino
PF3CH2 phosphorane, trifluoromethylene-
PF6- Hexafluorophosphate ion
PF6 Hexafluorophosphate neutral
CF3PH2 phosphine, (trifluoromethyl)-
C2H4S Thiirane
CH3CHS Thioacetaldehyde
CH3SH2+ protonated methylsulfide
CH3SSH Hydrogen methyl disulfide
H2SO4 Sulfuric acid
CH2CHSH Ethenethiol
HSCH2SH Methanedithiol
SF6 Sulfur Hexafluoride
SF5Cl sulfur chloropentafluoride
CHCl2CCH 3,3-dichloropropyne
CH2ClCHO chloroacetaldehyde
CH2ClCHO chloroacetaldehyde
CH2CH2Cl 2-chloroethyl radical
CHClCH3 1-chloroethyl radical
CCl3CHO trichloroacetaldehyde
CHCl2CHO dichloroacetaldehyde
CHCl2CHO dichloroacetaldehyde
CH2ClCCCl 1,3-dichloropropyne
SeF6 Selenium hexafluoride
H2SeO4 Selenic acid
B2H6+ Diborane cation
B2H6 Diborane
CH3CHCH 1-propenyl radical
C4H4 cyclobutadiene
C3H5+ Allyl cation
C6H2 hexatriyne
C2H6+ ethane cation
C3H5 Allyl radical
C3H5 Allyl radical
C2H6 Ethane
C2H6 Ethane
C2H6 Ethane
C4H4 Tetrahedrane
C4H2N2 Fumaronitrile
NH2CCNH2 Diaminoacetylene
HN=C=C(CN)2 Dicyanoketenimine
C3H3N2- imidizolyl anion
CH3NH3+ protonated methylamine
NH3NH3 Ammonia Dimer
NH3NH3 Ammonia Dimer
CH(CN)3 tricyanomethane
CH3CHNH ethanimine
NH2CH2CN Aminoacetonitrile
C3H3N2 imidazolyl radical
CH3NH3 methyl ammonium radical
BH3NH3 borane ammonia
CH3NHN2+ methyl azide, protonated
C3H2O3 vinylene carbonate
C2H4OH+ ethylene oxide, protonated
C2H2O4 Oxalic Acid
NH2CONH2 Urea
NH2CONH2 Urea
CH3CHOH+ acetaldehyde, protonated
NH2COOH2+ Carbamic acid, O-protonated
CH3CH2O Ethoxy radical
CH2CH2OH 2-hydroxy ethyl radical
NH3COOH+ protonated Carbamic acid
CH3OCH2 methoxymethyl radical
CH3CHOH 1-hydroxy-ethyl radical
NH2CH2OH aminomethanol
C3H3NO Isoxazole
C3H3NO Oxazole
CH2CHCHO Acrolein
CH2CHCHO Acrolein
CF3COOH trifluoroacetic acid
CH3CHF2 Ethane, 1,1-difluoro-
C4F4 tetrafluorcyclobutadiene
C4F4 tetrafluorcyclobutadiene
C2H4F2 1,2-difluoroethane
C2H4F2 1,2-difluoroethane
C2H4F2 1,2-difluoroethane
C2H4F2 1,2-difluoroethane
CHF2CH2F Ethane, 1,1,2-trifluoro
CHF2CH2F Ethane, 1,1,2-trifluoro
CF3CHF2 pentafluoroethane
NH3BF3 Amminetrifluoroboron
CHF2CHF2 1,1,2,2-tetrafluoroethane
Al2H6 dialane
SiH3CCl3 (trichloromethyl)silane
Si2H6 disilane
H3PO4 Phosphoric Acid
CH3PH3+ methyl phosphine, protonated
BH3PH3 borane phosphine
S4N4 Tetrasulfur tetranitride
C3H3NS Thiazole
CH2FCH2Cl Ethane, 1-chloro-2-fluoro-
CH2FCH2Cl Ethane, 1-chloro-2-fluoro-
CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro-
CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR
Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi-
CH2ClCCl3 1,1,1,2-tetrachloroethane
C2Cl6 hexachloroethane
CH3CF2Cl 1-Chloro-1,1-Difluoroethane
CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane
CF3CF2Cl pentafluorochloroethane
CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro-
CH2ClCH2Cl Ethane, 1,2-dichloro-
CF3CH2Cl 2,2,2-Trifluoroethyl chloride
CHCl2CHF2 1,1-dichloro-2,2-difluoroethane
SiCl3CH3 methyltrichlorosilane
Ga2H6 digallane
GeH3CH3 methyl germane
CH2BrCBr3 1,1,1,2-tetrabromo ethane
CH2BrCH2Cl 1-bromo-2-chloroethane
CH2BrCH2Cl 1-bromo-2-chloroethane
C2H5Br Ethyl bromide
CH2BrCH2Br Ethane, 1,2-dibromo-
CH2BrCH2Br Ethane, 1,2-dibromo-
CH3CBr3 1,1,1-tribromoethane
C3H6 Cyclopropane
CH2CHCH3 Propene
CH2CHCH3 Propene
C5H4 pentatetraene
C2H7+ Ethane, protonated
C2H5CN ethyl cyanide
C(CN)4 tetracyanomethane
N2H7+ ammonia ammonium dimer
CH5N3 Guanidine
NH2CH2NH2 diaminomethane
C3H4N2 4H-Imidazole
C2H5NH+ Protonated Aziridine
C4H4N pyrrolide radical
C4H4N- pyrrolide anion
C3H4N2 1H-Imidazole
C2H6N+ aziridine, protonated
C3H4N2 2H-Imidazole
CH3CHNOH Acetaldoxime
C3H4O2 Methyl glyoxal
HOCH2COOH Hydroxyacetic acid
C2H5OO ethylperoxy radical
CH2C(OH)NH2 1-amino vinyl alchohol
HCONHCH3 N-methylformamide
HCONHCH3 N-methylformamide
CH3COCH2 Acetonyl radical
HOCHCCHOH allenediol
C2H4O3 1,2,3-trioxolane
CH3C(OH)=NH Ethaninidic acid
CH5N2O+ urea, N-protonated
H2NCOHNH2+ urea, protonated
CH3COCCH 3-butyn-2-one
CH3CHCHF trans-1-Fluoro-1-propene
CH2CHCH2F Allyl Fluoride
CH2CHCH2F Allyl Fluoride
CH2FCH2OH 2-fluoroethanol
C3F6 hexafluoropropene
CH3SCH3 Dimethyl sulfide
CH3CH2SH ethanethiol
CH3CH2SH ethanethiol
CH3SCH3+ dimethyl sulfide cation
CH3CSNH2 Ethanethioamide
C4H3ClO Furan, 2-chloro
CH2ClCH2OH 2-Chloroethanol
C4H3ClO Furan,3-chloro
C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro-
C4H4Se selenophene
CH3SeCH3 dimethylselenide
CH2CHCHCH2 1,3-Butadiene
CHCCH2CH3 1-Butyne
CH3CHCH3 Isopropyl radical
C5H5- cylopentadienyl anion
C4H6 Bicyclo[1.1.0]butane
C5H5 cyclopentadienyl radical
CH3CHCH3+ Isopropyl cation
C3H7 n-Propyl radical
C3H7+ cyclopropane, protonated
H2NCHCHNH2 diaminoethylene
CH3NNCH3 (E)-1,2-Dimethyldiazene
C6N4 Tetracyanoethylene
CH3CH2NH2 Ethylamine
C4H5N Pyrrole
CH3NNCH3 (Z)-1,2-Dimethyldiazene
CH6N3+ guanidinium
CH6N3+ guanidinium
C3H5OH Cyclopropanol
C2H4CO3 Ethylene carbonate
C2H4CO3 Ethylene carbonate
C3H6O Oxetane
C3H6O Oxetane
CH3COCH3- acetone anion
CH3OCH2CN Methoxyacetonitrile
CH3OCH2CN Methoxyacetonitrile
C3H6O 2-Propen-1-ol
CH3CH2CHO Propanal
C3H6O Acetone enol
C4F6 perfluorobutadiene
CH3PHCH3 dimethylphosphine
CH3SO2NH2 methanesulfonamide
SF5CF3 Sulfur, pentafluoro(trifluoromethyl)-
CH3CSCH3 Thioacetone
C2H4N2S2 Ethanedithioamide
CH2CClCHCH2 1,3-Butadiene, 2-chloro-
CH2ClCH2OH2+ 2-chloroethanol, protonated
CH3CHCHCH2 methylallyl radical
C3H8 Propane
C6H5- phenyl anion
C5H6 Propellane
CH3CH2NH3+ ethylamine, protonated
C4H6N+ pyrrole, alpha-protonated
C4H6N+ pyrrole, protonated
C4H6N+ pyrrole, beta-protonated
CH7N3 triaminomethane
(CH3)2NH2+ dimethylammonium cation
C2H5NO3 Nitric acid, ethyl ester
CH2CHOCHCH2 Vinyl ether
HOCH2CH2NH2 monoethanolamine
CH3CH2COOH Propanoic Acid
HCOOC2H5 Ethyl formate
CH3CHFCH3 2-Fluoropropane
CH2FCH2CH3 1-Fluoropropane
CH2FCH2CH3 1-Fluoropropane
CH2FCH2CH2F 1,3-difluoropropane
Si3H8 trisilane
CH2CHSCHCH2 Divinyl sulfide
C2H6O2S Dimethyl sulfone
CH3CHClCH3 Propane, 2-chloro-
CH3CHBrCH3 i-propyl bromide
CH3CH2CH2Br n-propyl bromide
C4H8 cyclobutane
C6H6 Benzvalene
C6H6 Prismane
C6H6 Hexa-1,5-diene-3-yne
C4H8 methylcyclopropane
C6H6 Dewar Benzene
C6H6 Trimethylenecycopropane
CH2CHCH2CH3 1-Butene
C6H6 Benzene
C5H7 cyclopentenyl radical
C6H6 1,2,4,5-Hexatetraene
C5H6N+ Pyridinium
CH3CH(CH3)CN Propanenitrile, 2-methyl-
CH3CH2CH2CN Butanenitrile
C3H3N3O3 cyanuric acid
C4H6O2 Crotonic Acid
C5H6O 2H-Pyran
CH3OC2H5 Ethane, methoxy-
C3H6O3 1,3,5-Trioxane
C5H6O 2-methylfuran
C5H6O Pentadienal
C4H6O2 γ–Butyrolactone
C3H7OH 1-Propanol
C5H6O 3-Methylfuran
C6H3F3 Benzene trifluoride 123
S2F10 disulphur decafluoride
C3H6S3 1,3,5-Trithiane
CH2ClCHCHCH3 2-Butene, 1-chloro-
CH2ClCHCHCH3 2-Butene, 1-chloro-
C6H4Cl2 1,4-dichlorobenzene
C5H8 1-pentyne
C5H8 Bicyclo[1.1.1]pentane
C5H8 Ethenylcyclopropane
C5H8 1,3-Pentadiene, (Z)-
C6H7+ benzene, protonated
NH2CH2CH2CH3 1-Propanamine
C3H7ONO Propyl nitrite
C6H5NO nitrosobenzene
C6H6O 2,5-Cyclohexadienone
C4H7NO Ethoxyacetonitrile
N(SiH3)3 trisilylamine
P(CH3)3 trimethylphosphine
C4H8S Thiophene, tetrahydro-
As(CH3)3 trimethyl arsine
B5H9 pentaborane9
B4H10 Tetraborane(10)
C7H7+ cycloheptatrienyl cation
C8H6 Calicene
C8H6 benzocyclobutadiene
C6H8 (E)-hexa-2,3,4-triene
C6H8 (E)-hexa-2,3,4-triene
C7H7 cycloheptatrienyl radical
CH3CH2CH2CH3 Butane
CH3CH2CH2CH3 Butane
(CH3)3NH+ protonated trimethyl amine
C3H7NH3+ n-propylamine, protonated
C4H8O2 Ethyl acetate
C4H8O2 Butanoic acid
NH(CH3)CONH(CH3) Urea, N,N'-dimethyl-
HO2CCHNH2CH2OH Serine
C5H8O Methyl cyclopropyl ketone
C6H5CHO benzaldehyde
C5H8O Cyclopentanone
C5H8O2 Acetylacetone
C4H10O 1-Butanol
C4H10O Methyl propyl ether
C(CH3)3SH 2-Propanethiol, 2-methyl-
C4H9SH 1-Butanethiol
C6H10 1,5-Hexadiene
C6H10 3-Hexyne
NH(C2H5)2 diethylamine
C5H10O 2-methylbutyraldehyde
C5H10O 3-Pentanone
C9H8 spiro[4.4]nona-1,3,6,8-tetraene
C7H10 Norbornene
CH3COC6H5 acetophenone
C6H12 2,3-dimethylbut-1-ene
C6H12 (Z)-hex-2-ene
C6H12 (Z)-hex-3-ene
C6H12 (E)-hex-3-ene
C6H12 hex-1-ene
C12H8 biphenylene
C10H10 bullvalene
C7H14 cycloheptane
(CH3)3CC(CH3)3 tetramethylbutane
C16H10 Pyrene
C8H18O 1-Octanol
C9H20 Nonane
C10H22 Decane