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