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