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III.G.10.a.

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 anion
H+ Hydrogen atom cation
He- Helium atom anion
He+ Helium atom cation
He Helium atom
Li- Lithium atom anion
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 cation
C- Carbon atom anion
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 cation
F Fluorine atom
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
Al- Aluminum atom anion
Al+ Aluminum atom cation
Al Aluminum atom
Si+ Silicon atom cation
Si Silicon atom
Si Silicon atom
Si- Silicon atom anion
P+ Phosphorus atom cation
P Phosphorus atom
P Phosphorus atom
P- Phosphorus atom anion
S- Sulfur atom anion
S+ Sulfur atom cation
S Sulfur atom
S Sulfur atom
Cl- Chlorine atom anion
Cl Chlorine atom
Cl+ Chlorine atom cation
Ar+ Argon atom cation
Ar- Argon atom anion
Ar Argon atom
K+ Potassium atom cation
K- Potassium atom anion
Ca- Calcium atom anion
Ca+ Calcium atom cation
Cu- Copper atom anion
Cu+ Copper atom cation
Zn Zinc atom
Ga Gallium atom
Ga+ Gallium atom cation
Ga- Gallium atom anion
Ge- Germanium anion
Ge Germanium atom
As+ Arsenic cation
Se- Selenium atom anion
Se+ Selenium atom cation
Br+ Bromine atom cation
Br- Bromine atom anion
Kr Krypton atom
H2- hydrogen diatomic anion
H2+ Hydrogen cation
H2 Hydrogen diatomic
HeH+ Helium hydride cation
He2+ helium dimer cation
LiH- lithium hydride anion
Li2- lithium dimer anion
Li2 Lithium diatomic
LiH Lithium Hydride
LiH+ lithium hydride cation
Li2+ lithium diatomic cation
Be2 Beryllium diatomic
BeH+ beryllium monohydride cation
LiBe Lithium Beryllium
BeH- berylium monohydride anion
Be2- Beryllium dimer anion
Be2+ Beryllium diatomic cation
BeH beryllium monohydride
BH+ boron monohydride cation
B2- Boron diatomic anion
B2+ Boron diatomic cation
B2 Boron diatomic
B2 Boron diatomic
LiB Lithium boride
C2+ carbon diatomic cation
C2+ carbon diatomic cation
C2 Carbon diatomic
CH- methylidyne anion
LiC Lithium Carbide
BC- boron monocarbide anion
C2- carbon diatomic anion
CH+ Methylidyne cation
BC boron monocarbide
NH- Imidogen anion
N2- nitrogen diatomic anion
N2+ diatomic nitrogen cation
N2+ diatomic nitrogen cation
CN- cyanide anion
CN Cyano radical
BN boron nitride
BeN- Beryllium mononitride anion
LiN+ Lithium Nitride cation
NH+ imidogen cation
BN- boron nitride anion
N2 Nitrogen diatomic
N2 Nitrogen diatomic
BN+ boron nitride cation
BeN Beryllium mononitride
BeO- Beryllium monoxide anion
BeO+ Beryllium monoxide cation
O2 Oxygen diatomic
NO Nitric oxide
BO- boron monoxide anion
OH+ hydoxyl cation
CO+ carbon monoxide cation
CO+ carbon monoxide cation
NO+ nitric oxide cation
LiO- lithium oxide anion
BO+ boron monoxide cation
BeO beryllium oxide
CO Carbon monoxide
OH- hydroxide anion
OH Hydroxyl radical
CO- carbon monoxide anion
O2- oxygen diatomic anion
O2+ diatomic oxygen cation
O2+ diatomic oxygen cation
NO- nitric oxide anion
LiO+ lithium oxide cation
BF+ Boron monofluoride cation
F2- flourine diatomic anion
F2+ flourine diatomic cation
HF Hydrogen fluoride
NF+ nitrogen monofluoirde cation
CF+ carbon monofluoride cation
BF Boron monofluoride
FO+ fluorine monoxide cation
LiF+ lithium fluoride cation
F2 Fluorine diatomic
F2 Fluorine diatomic
HF+ hydrogen fluoride cation
NF- nitrogen monofluorine anion
BF- Boron monofluoride anion
LiF- lithium fluoride anion
BeF+ Beryllium monofluoride cation
NF nitrogen fluoride
DF Hydrofluoric acid-d
CF Fluoromethylidyne
FO- flourine oxide anion
BeF- Beryllium monofluoride anion
BeF- Beryllium monofluoride anion
Ne2 Neon dimer
NeH+ neon hydrogen cation
NeH neon hydrogen
Ne2+ Neon dimer cation
NaF- sodium fluoride anion
NaBe Sodium Beryllium
Na2+ sodium dimer cation
NaLi lithium sodium
NaH- sodium hydride anion
Na2 Sodium diatomic
NaLi+ lithium sodium cation
NaO- sodium oxide anion
NaO+ sodium oxide cation
NaF+ sodium fluoride cation
NaH+ sodium hydride cation
NaH+ sodium hydride cation
Na2- sodium dimer anion
Mg2- magnesium dimer anion
Mg2+ magnesium dimer cation
MgF+ magnesium fluoride cation
MgH+ magnesium monohydride cation
MgO- magnesium oxide anion
MgH- magnesium monohydride anion
MgF- magnesium fluoride anion
Mg2 Magnesium diatomic
MgO magnesium oxide
LiMg Lithium magnesium
MgO+ magnesium oxide cation
NaMg Sodium Magnesium
AlF- Aluminum monofluoride anion
AlN+ aluminum mononitride cation
Al2- aluminum dimer anion
AlN- aluminum mononitride anion
Al2 Aluminum diatomic
AlF+ Aluminum monofluoride cation
AlF Aluminum monofluoride
Al2+ aluminum dimer cation
AlN Aluminum nitride
AlO- Aluminum monoxide anion
AlO+ aluminum monoxide cation
AlH- aluminum monohydride anion
AlH+ aluminum monohydride cation
SiH+ silicon monohydride cation
SiO Silicon monoxide
SiN+ silicon mononitride cation
Si2- silcon dimer anion
SiH Silylidyne
SiF- silicon monofluoride anion
SiF- silicon monofluoride anion
SiO- silicon monoxide anion
SiC+ silicon monocarbide cation
SiC- silicon monocarbide anion
SiO+ silicon monoxide cation
SiN- silicon mononitride anion
SiH- silicon monohydride anion
SiH- silicon monohydride anion
Si2+ silcon dimer cation
SiF+ silicon monofluoride cation
SiC silicon monocarbide
CP- carbon monophosphide anion
CP+ carbon monophosphide cation
PO Phosphorus monoxide
PO Phosphorus monoxide
P2+ phosphorus dimer cation
PH- phosphorus monohydride anion
PN+ phosphorus nitride cation
PF+ phosphorus monofluoride cation
SiP+ Silicon monophosphide cation
PF- phosphorus monofluoride anion
PO- phosphorus monoxide anion
PH+ phosphorus monohydride cation
P2- phosphorus dimer anion
P2 Phosphorus diatomic
P2 Phosphorus diatomic
SiP- Silicon monophosphide anion
SiP Silicon monophosphide
PO+ phosphorus monoxide cation
PN- phosphorus nitride anion
SH+ sulfur monohydride cation
SF- sulfur monofluoride anion
S2- sulfur dimer anion
S2+ sulfur dimer cation
SO- sulfur monoxide anion
PS+ phosphorus monosulfide cation
SiS- silicon monosulfide anion
SiS silicon monosulfide
BeS- Beryllium monosulfide anion
BeS+ Beryllium monosulfide cation
MgS- magnesium sulfide anion
MgS+ magnesium sulfide cation
SH- mercapto anion
SO Sulfur monoxide
SO Sulfur monoxide
SF+ sulfur monofluoride cation
S2 Sulfur diatomic
NS+ nitrogen sulfide cation
SiS+ silicon monosulfide cation
BS- boron monosulfide anion
AlS+ aluminum monosulfide cation
CS- carbon monosulfide anion
SF Monosulfur monofluoride
SO+ sulfur monoxide cation
AlS- aluminum monosulfide anion
PS- phosphorus monosulfide anion
CS+ carbon monosulfide cation
SH Mercapto radical
BS+ boron monosulfide cation
NS- nitrogen sulfide anion
NS- nitrogen sulfide anion
NS Mononitrogen monosulfide
NCl+ nitrogen monochloride cation
NaCl- sodium chloride anion
SiCl- silicon monochloride anion
MgCl- magnesium monochloride anion
ClO Monochlorine monoxide
ClO Monochlorine monoxide
CCl+ carbon monochloride cation
HCl Hydrogen chloride
NaCl+ sodium chloride cation
NCl- nitrogen monochloride anion
AlCl- aluminum monochloride anion
ClF+ clorine monofluoride cation
LiCl- lithium chloride anion
Cl2 Chlorine diatomic
Cl2 Chlorine diatomic
BeCl beryllium chloride
SiCl+ silicon monochloride cation
ClO+ chlorine monoxide cation
SCl sulfur monochloride
PCl- phosphorus monochloride anion
CCl- carbon monochloride anion
HCl+ hydrogen chloride cation
NCl nitrogen monochloride
BeCl- beryllium monochloride anion
AlCl Aluminum monochloride
BCl+ boron monochloride cation
PCl+ phosphorus monochloride cation
MgCl+ magnesium monochloride cation
ClO- chlorine monoxide anion
SCl+ sulfur monochloride cation
Cl2- chlorine diatomic anion
Cl2- chlorine diatomic anion
Cl2+ chlorine diatomic cation
ClF- clorine monofluoride anion
ClF Chlorine monofluoride
LiCl+ lithium chloride cation
BeCl+ beryllium monochloride cation
AlCl+ aluminum monochloride cation
BCl- boron monochloride anion
SCl- sulfur monochloride anion
ArH+ Argon hydride cation
LiK Lithium Potassium
KF Potassium Fluoride
KH Potassium hydride
KCl Potassium Chloride
NaK Sodium Potassium
K2 Potassium dimer
KH+ Potassium hydrogen cation
CaH+ Calcium monohydride cation
Ca2 Calcium dimer
CaH Calcium monohydride
ZnF+ Zinc monofluoride cation
GaO Gallium monoxide
GaH Gallium monohydride
GaN Gallium mononitride
GaCl Gallium monochloride
GaF Gallium monofluoride
GeO Germanium monoxide
GeCl Germanium monochloride
GeH germylidene
Ge2 Germanium dimer
GeF Germanium monofluoride
GeC Germanium monocarbide
AsP Arsenic monophosphide
AsH Arsenic monohydride
AsF Arsenic monofluoride
As2 Arsenic diatomic
AsH+ Arsenic monohydride cation
AsN Arsenic mononitride
AsO Arsenic monoxide
CSe- Carbon monoselenide anion
HSe- selenium monohydride anion
HSe+ selenium monohydride cation
CSe+ Carbon monoselenide cation
SeO+ selenium monoxide cation
SeS- selenium monosulfide anion
SeO- selenium monoxide anion
SeS+ selenium monosulfide cation
Se2- selenium dimer anion
Se2+ selenium dimer cation
Br2- bromine diatomic anion
BrCl+ bromine chloride cation
LiBr- lithium bromide cation
NaBr- sodium bromide anion
HBr+ hydrogen bromide cation
BBr Boron monobromide
BrCl- bromine chloride anion
Br2+ bromine diatomic cation
KBr Potassium Bromide
BrO- Bromine monoxide anion
BrF+ bromine fluoride cation
BrO Bromine monoxide
NBr nitrogen monobromide
HBr hydrogen bromide
BrF- bromine fluoride anion
NaBr+ sodium bromide cation
LiBr+ lithium bromide anion
H3+ hydrogen trimer cation
BeH2+ Beryllium dihydride cation
BeH2+ Beryllium dihydride cation
BeH2 beryllium dihydride
BeH2 beryllium dihydride
BH2- boron dihydride anion
BH2+ Boron dihydride cation
C2H- Ethynyl anion
C3 carbon trimer
C3 carbon trimer
C2H+ Ethynyl cation
CH2 Methylene
CH2 Methylene
C3+ carbon trimer cation
CH2- methylene anion
CH2+ methylene cation
NCN NCN
N3- azide anion
CN2 3H-Diazirin-3-ylidene
NNH+ Dinitrogen monohydride cation
HCN Hydrogen cyanide
HCN Hydrogen cyanide
HCN- Hydrogen cyanide anion
HCN+ hydrogen cyanide cation
NH2- amino anion
NH2+ Amino cation
BO2- Boron dioxide anion
O3 Ozone
NO2- Nitrogen dioxide anion
CO2- Carbon dioxide anion
HO2- Hydroperoxy anion
N2O+ Nitrous oxide cation
H2O Water
HNO- Nitrosyl hydride anion
BO2+ Boron dioxide cation
HDO Water-d1
HNO Nitrosyl hydride
NO2+ Nitrogen dioxide cation
H2O+ water cation
Li2O+ dilithium oxide cation
Li2O+ dilithium oxide cation
HO2+ Hydroperoxy cation
CO2+ Carbon dioxide cation
CO2+ Carbon dioxide cation
HNO+ Nitrosyl hydride cation
H2O- water anion
N2O Nitrous oxide
O3+ Ozone cation
CO2 Carbon dioxide
CO2 Carbon dioxide
HCO- formyl anion
HCO+ Formyl cation
CF2+ Difluoromethylene cation
H2F+ dihydrogen fluoride cation
F3- trifluoride anion
FNO Nitrosyl fluoride
CF2- Difluoromethylene anion
BeF2 Beryllium fluoride
NF2+ Difluoroamino cation
FHF- FHF-
MgH2 magnesium dihydride
MgF2 Magnesium fluoride
AlH2- aluminum dihydride anion
AlH2+ aluminum dihydride cation
SiH2+ silicon dihydride cation
SiH2- silicon dihydride anion
SiF2 Silicon difluoride
SiH2 silicon dihydride
PH2+ Phosphino cation
HPO+ HPO cation
PPO PPO
PO2+ Phosphorus dioxide cation
PH2- Phosphino anion
SF2- sulfur difluoride anion
SF2- sulfur difluoride anion
H2S Hydrogen sulfide
HCS- Thioformyl anion
NNS Nitrogen sulfide
HS2 Thiosulfeno radical
H2S+ Hydrogen sulfide cation
SO2- Sulfur dioxide anion
SO2 Sulfur dioxide
HCS+ Thioformyl cation
S3 Sulfur trimer
H2S- Hydrogen sulfide anion
HNS HNS
CS2 Carbon disulfide
SF2+ sulfur difluoride cation
HCS Thioformyl radical
OCS+ Carbonyl sulfide cation
CS2- Carbon disulfide anion
CS2+ Carbon disulfide cation
HNS- HNS-
S3- Sulfur trimer anion
CCl2+ dichloromethylene cation
H2Cl+ dihydrogen monochloride cation
CCl2- dichloromethylene anion
BeCl2 Beryllium chloride
ClOO+ chloroperoxy cation
Cl3- trichloride anion
SCl2 Sulfur dichloride
ClCN chlorocyanogen
HCCl Chloromethylene
CaH2 Calcium Hydride
CaCl2 Calcium Chloride
ZnCl2 Zinc dichloride
ZnCl2 Zinc dichloride
GeCl2 Germanium dichloride
GeO2 Germanium dioxide
GeH2- germylene anion
GeH2 germylene
GeS2 Germanium disulfide
GeF2 Germanium difluoride
AsH2 Arsenic dihydride
AsH2+ Arsenic dihydride cation
AsO2 Aresenic dioxide
H2Se+ Hydrogen selenide cation
OBrO OBrO
BrOCl BrOCl
BrNO Nitrosyl bromide
HOBr+ Hypobromous acid cation
HOBr Hypobromous acid
CHBr bromomethylene
BrOBr Bromine oxide
KrF2 Krypton difluoride
BH3 boron trihydride
BH3 boron trihydride
BH3- boron trihydride anion
BH3+ boron trihydride cation
BH3+ boron trihydride cation
BH3+ boron trihydride cation
BH3+ boron trihydride cation
CH3 Methyl radical
CCH2 vinylidene
CH3- methyl anion
C2H2+ acetylene cation
C4+ Carbon tetramer cation
C2H2 Acetylene
C2N2+ Cyanogen cation
H2CN H2CN
CNH2+ CNH2+
HN3 hydrogen azide
NH3+ ammonia cation
H2CN+ H2CN+
CNH2 CNH2
N2H2 trans-diazine
HCNH+ HCNH+
NH3 Ammonia
HCNH HCNH
HCNH HCNH
HOCH hydroxycarbene
HOCH hydroxycarbene
H2CO- formaldehyde anion
H2CO Formaldehyde
H2O2+ Hydrogen peroxide cation
H2O2+ Hydrogen peroxide cation
H3O+ hydronium
HCOO formate neutral radical
HOCO Hydrocarboxyl radical
HOCO Hydrocarboxyl radical
HNO2+ nitrous acid cation
H2O2 Hydrogen peroxide
H2CO+ formaldehyde cation
ONNO NO dimer
NO3+ nitrogen trioxide cation
CO3-2 carbonate
HCO2- formate anion
HOCO+ Hydrocarboxyl cation
NH2F monofluoroamine
BF3- Borane, trifluoro- anion
CHF2 difluoromethyl radical
HCCF+ fluoroacetylene cation
CF3- Trifluoromethyl anion
BF3 Borane, trifluoro-
FOOF Perfluoroperoxide
NF3- Nitrogen trifluoride anion
NF3- Nitrogen trifluoride anion
CF3+ Trifluoromethyl cation
BF3+ boron trifluoride cation
CH2F fluoromethyl radical
AlF3 Aluminum trifluoride
AlH3- aluminum trihydride anion
AlH3 aluminum trihydride
AlH3+ aluminum trihydride cation
AlH3+ aluminum trihydride cation
SiH3+ Silyl cation
SiH3- Silyl anion
P4 Phosphorus tetramer
PH3 Phosphine
PH3+ Phosphine cation
F2SO Thionyl Fluoride
SO3- Sulfur trioxide anion
SO3- Sulfur trioxide anion
SF3 Sulfur trifluoride
H2S2 HSSH
H3S+ H3S+
H2CS Thioformaldehyde
COHCl Formyl chloride
CCl3+ Trichloromethyl cation
COFCl Carbonic chloride fluoride
NCl3 nitrogen trichloride
CCl3- Trichloromethyl anion
SiCl3+ trichlorosilyl cation
BCl3 Borane, trichloro-
NH2Cl chloramine
HOClO Chlorous acid
C2Cl2+ dichloroacetylene cation
Cl2CS Thiophosgene
GaH3 Gallium trihydride
GaCl3 Gallium trichloride
GaF3 Gallium trifluoride
GeH3+ germyl cation
GeH3 Germyl radical
As4 Arsenic tetramer
AsH3 Arsine
AsF3 Arsenic trifluoride
AsH3+ Arsine cation
SeO3 selenium trioxide
PBr3 Phosphorus tribromide
COHBr COHBr
CH2Cl chloromethyl radical
CH2Cl chloromethyl radical
COBr2 Carbonic dibromide
CH2Br bromomethyl radical
BBr3 Boron tribromide
BrONO Bromine nitrite
BH4- borohydride anion
CH4+ Methane cation
CH4+ Methane cation
CH4+ Methane cation
CH2D2 methane-d2
CHD3 methane-d3
C2H3 vinyl
CD4 methane-d4
CH4 Methane
CH3D methane-d
C2H3+ vinyl cation
C2H3+ vinyl cation
HCCCN+ Cyanoacetylene cation
NH4+ ammonium cation
CH2NN diazomethane
CH2CO+ Ketene cation
HCO3- bicarbonate anion
C3O2+ Carbon suboxide cation
H3O2+ hydrogen peroxide, protonated
HCOOH Formic acid
H2O3 Hydrogen trioxide
NH3O Ammonia Oxide
CH2OH+ hydroxymethyl cation
CH3O- methoxy anion
ONONO Nitrosyl nitrite
CD3F methylfluoride-d3
BF4- tetrafluoroboron anion
Mg(OH)2 Magnesium dihydroxide
Mg(OH)2 Magnesium dihydroxide
AlH4- Aluminum tetrahydride anion
SiH4 Silane
PO4-3 phosphate
H2POH Phosphinous acid
H2POH Phosphinous acid
H3PO Phosphine oxide
CH2PH H2CPH
PH4+ phosphonium cation
HSO3 HOSO2
SO2F2 Sulfuryl fluoride
SO4-2 sulfate
HSSSH trisulfane
CDCl3 trichloromethane-d
ClONO2 Chlorine nitrate
CD3Cl methyl chloride d3
HClO3 Chloric Acid
HClO3 Chloric Acid
GeCl4 Germanium Tetrachloride
GeF4 Germanium tetrafluoride
GeH4 Germane
CBrClF2 Methane, bromochlorodifluoro-
CHClBr2 Methane, dibromochloro-
CHBrCl2 Methane, bromodichloro-
CHBrF2 Methane, bromodifluoro-
CH2ClBr Methane, bromochloro-
CBr2F2 Methane, dibromodifluoro-
CBr2F2 Methane, dibromodifluoro-
CBr2F2 Methane, dibromodifluoro-
CBrCl3 Methane, bromotrichloro-
LiBH4 Lithium borohydride
HBHHBH Diborane(4) C2V
B2H4 Diborane(4) D2d
C2H4- Ethylene anion
C2H4 Ethylene
C2H4+ Ethylene cation
C3H3+ cyclopropenyl cation
C3H3- Propargyl anion
C4H2+ diacetlyene cation
C3H3+ Propargyl cation
CH3CH methylmethylene
CH3CN+ Acetonitrile cation
CH3CN+ Acetonitrile cation
CH2NH2+ methyleneamine cation
C2O4-2 oxalate anion
H2NO3+ Nitric Acid, Protonated
H2CO3 Carbonic acid
CH2CHO Vinyloxy radical
CH3CO+ acetyl cation
CH3OO- methylperoxy anion
CH3OH Methyl alcohol
HOCHNH hydroxymethylimine
CH2OOH CH2OOH
H2OH2O water dimer
CH3OH+ Methyl alcohol cation
HOONO2 peroxy nitric acid
CF3OH trifluoromethanol
NaOCH3 Sodium methoxide
Na2CO3 Sodium Carbonate
SF5 Sulfur pentafluoride
HSO4- bisulfate anion
CH3OCl methyl hypochlorite
HClO4 perchloric acid
CH3SeH Methane selenol
CH2CCH2 allene
C3H3N+ acrylonitrile cation
CH3CHN methylmethaniminyl radical
C3H2O2 Propiolic acid
H2CONH2+ protonated formamide
H3CO3+ carbonic acid, protonated
CH2(OH)2 methanediol
CH3OH2+ Methanol, protonated
CHOCOOH oxo acetic acid
CH3COO- acetate anion
CF3CHO trifluoroacetaldehyde
H2SO4 Sulfuric acid
SF5Cl sulfur chloropentafluoride
CCl3CHO trichloroacetaldehyde
CHCl2CHO dichloroacetaldehyde
CH2ClCHO chloroacetaldehyde
H2SeO4 Selenic acid
C2H6+ ethane cation
C3H5 Allyl radical
C2H6 Ethane
C2H6 Ethane
CH3CHCH 1-propenyl radical
C3H5+ Allyl cation
C4H4 cyclobutadiene
C3H3N2 imidazolyl radical
CH3NH3+ protonated methylamine
C3H3N2- imidizolyl anion
NH3NH3 Ammonia Dimer
CH3CHNH ethanimine
CH3CH2O Ethoxy radical
CH2CH2OH 2-hydroxy ethyl radical
CH3OCH2 methoxymethyl radical
NH2CONH2 Urea
C2H4F2 1,2-difluoroethane
C2H4F2 1,2-difluoroethane
CHF2CHF2 1,1,2,2-tetrafluoroethane
C4F4 tetrafluorcyclobutadiene
C4F4 tetrafluorcyclobutadiene
CF3COOH trifluoroacetic acid
Al2H6 dialane
SiH3CCl3 (trichloromethyl)silane
H3PO4 Phosphoric Acid
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
GeH3CH3 methyl germane
CH2BrCH2Br Ethane, 1,2-dibromo-
CH3CBr3 1,1,1-tribromoethane
CH2CHCH3 Propene
C3H6 Cyclopropane
C2H7+ Ethane, protonated
C(CN)4 tetracyanomethane
NH2CH2NH2 diaminomethane
CH5N3 Guanidine
C4H4N pyrrolide radical
C4H4N- pyrrolide anion
C2H4O3 1,2,3-trioxolane
HOCHCCHOH allenediol
C3H4O2 Methyl glyoxal
HOCH2COOH Hydroxyacetic acid
C2H5OO ethylperoxy radical
C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro-
C5H5 cyclopentadienyl radical
CH2CHCHCH2 1,3-Butadiene
C5H5- cylopentadienyl anion
CH3NNCH3 DimethylDiazineZ
CH6N3+ guanidinium
CH6N3+ guanidinium
C6N4 Tetracyanoethylene
CH3COCH3- acetone anion
C2H4CO3 Ethylene carbonate
C2H4CO3 Ethylene carbonate
C4F6 perfluorobutadiene
SF5CF3 Sulfur, pentafluoro(trifluoromethyl)-
CH3CSCH3 Thioacetone
CH3CHBrCH3 i-propyl bromide
CH3CH2CH2Br n-propyl bromide
C6H5- phenyl anion
CH3CHCHCH2 methylallyl radical
CH2CHOCHCH2 Vinyl ether
CH3CH2COOH Propanoic Acid
CH3CHClCH3 Propane, 2-chloro-
C6H6 Trimethylenecycopropane
C5H7 cyclopentenyl radical
C5H6O 2-methylfuran
C4H6O2 Crotonic Acid
C5H6O 3-Methylfuran
C5H8 1,3-Pentadiene, (Z)-
C5H8 1-pentyne
C3H7ONO Propyl nitrite
C4H7NO Ethoxyacetonitrile
As(CH3)3 trimethyl arsine
C6H8 trans-2,3,4-Hexatriene
C8H6 Calicene
C8H6 benzocyclobutadiene
HO2CCHNH2CH2OH Serine
C4H8O2 Ethyl acetate
C4H10O 1-Butanol
C9H8 sprio[4.4]nona-1,3,6,8-tetraene
CH3COC6H5 acetophenone
C6H12 2-Hexene, (Z)-
C7H14 cycloheptane
C16H10 Pyrene