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XVII.A.

Species which change point group upon ionization.

Species Name Point Group
Neutral Ion
CO2- Carbon dioxide anion C∞v D∞h
CO2+ Carbon dioxide cation C∞v D∞h
CO2 Carbon dioxide C∞v D∞h
LiOH lithium hydroxide C∞v Cs
LiOH lithium hydroxide C∞v Cs
HCO- formyl anion C∞v Cs
HCO- formyl anion C∞v Cs
HCO Formyl radical C∞v Cs
HCO Formyl radical C∞v Cs
HCO+ Formyl cation C∞v Cs
HCO+ Formyl cation C∞v Cs
C3H6S3 Carbonotrithioic acid, dimethyl ester C1 Cs
C3H6S3 Carbonotrithioic acid, dimethyl ester C1 Cs
C3H7 n-Propyl radical C1 C2
C3H7 n-Propyl radical C1 C2
C3H7 n-Propyl radical C1 C2
CH3O- methoxy anion C1 C3v
CH3O- methoxy anion C1 C3v
CH3O Methoxy radical C1 C3v
CH3O Methoxy radical C1 C3v
CH6N4S Carbonothioic dihydrazide C1 Cs
CH6N4S Carbonothioic dihydrazide C1 Cs
C4H6O Furan, 2,3-dihydro- C1 Cs
C4H6O Furan, 2,3-dihydro- C1 Cs
C3H4S3 1,3-Dithiolane-2-thione C1 C2
C3H4S3 1,3-Dithiolane-2-thione C1 C2
C3H4S3 1,3-Dithiolane-2-thione C1 C2
C6H8 3-Methylenecyclopentene C1 Cs
C6H8 3-Methylenecyclopentene C1 Cs
C6H8 3-Methylenecyclopentene C1 Cs
NH2CONHC2H5 Urea, ethyl- C1 Cs
NH2CONHC2H5 Urea, ethyl- C1 Cs
NH2CONHC2H5 Urea, ethyl- C1 Cs
C4H5NS 4-Methylthiazole C1 Cs
C4H5NS 4-Methylthiazole C1 Cs
C4H5NS 4-Methylthiazole C1 Cs
CH3S thiomethoxy C1 C3v
CH3S thiomethoxy C1 C3v
CH3S thiomethoxy C1 C3v
CH2OH Hydroxymethyl radical C1 Cs
CH2OH Hydroxymethyl radical C1 Cs
CH2OH Hydroxymethyl radical C1 Cs
CH2OH+ hydroxymethyl cation C1 Cs
CH2OH+ hydroxymethyl cation C1 Cs
CH2OH+ hydroxymethyl cation C1 Cs
H2O2 Hydrogen peroxide C1 C2h
H2O2+ Hydrogen peroxide cation C1 C2h
NF3- Nitrogen trifluoride anion C1 C3v
NF3 Nitrogen trifluoride C1 C3v
NF3+ Nitrogen trifluoride cation C1 C3v
CH2ClCH2CH3 Propane, 1-chloro- C1 Cs
C4H8O2 Ethyl acetate C1 Cs
C5H8O Cyclopentanone C1 C2
C5H8O Cyclopentanone C1 C2
NH2CONH2+ Urea cation C1 C2v
NH2CONH2 Urea C1 C2v
CH2CHCONH2 Acrylamide C1 Cs
CH2CHCONH2 Acrylamide C1 Cs
CH2CHCONH2 Acrylamide C1 Cs
C4H6O2 2-Propenoic acid, methyl ester C1 Cs
C4H6O2 2-Propenoic acid, methyl ester C1 Cs
C4H6O2 2-Propenoic acid, methyl ester C1 Cs
CH3NHCH2COOH Sarcosine C1 Cs
CH3NHCH2COOH Sarcosine C1 Cs
CH3NHCH2COOH Sarcosine C1 Cs
C2H4N4 2H-Tetrazole, 2-methyl- C1 Cs
C2H4N4 2H-Tetrazole, 2-methyl- C1 Cs
C2H4N4 2H-Tetrazole, 2-methyl- C1 Cs
P2H4 H2PPH2 C2 C2h
P2H4 H2PPH2 C2 C2h
P2H4 H2PPH2 C2 C2h
H2S2 HSSH C2 C2v
H2S2 HSSH C2 C2v
H2S2 HSSH C2 C2v
CH3CH2CH2CH3 Butane C2 C1
CH2CHCHCH2 1,3-Butadiene C2 C2h
C2H4N2S2 Ethanedithioamide C2 C1
NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- C2 C1
NH2CONH2+ Urea cation C2 C2v
NH2CONH2+ Urea cation C2 C2v
NH2CONH2+ Urea cation C2 C2v
NH2CONH2 Urea C2 C2v
NH2CONH2 Urea C2 C2v
NH2CONH2 Urea C2 C2v
C3H8O2 Methane, dimethoxy- C2 C1
C3H8O2 Methane, dimethoxy- C2 C1
C3H8O2 Methane, dimethoxy- C2 C1
C6H12 Cyclohexane C2 C1
C3H8O2 Methane, dimethoxy- C2 C1
C4H8O Furan, tetrahydro- C2 C1
C4H8O Furan, tetrahydro- C2 C1
C4H8O Furan, tetrahydro- C2 C1
C4H8S Thiophene, tetrahydro- C2 C1
CH3CH2CH2CH3 Butane C2 C1
N2H4 Hydrazine C2 C2h
N2H4 Hydrazine C2 C2h
N2H4 Hydrazine C2 C2h
C4H6O2 2,3-Butanedione C2 C2h
H2O2+ Hydrogen peroxide cation C2 C2h
H2O2+ Hydrogen peroxide cation C2 C2h
H2O2+ Hydrogen peroxide cation C2 C2h
H2O2 Hydrogen peroxide C2 C2h
H2O2 Hydrogen peroxide C2 C2h
H2O2 Hydrogen peroxide C2 C2h
C6H10 3-Hexyne C2 C2v
C6H12 Pentane, 3-methylene- C2 C1
C6H8 1,3-Cyclohexadiene C2 C1
C6H8 1,3-Cyclohexadiene C2 C1
C6H10 1,5-Hexadiene C2 C1
CH3SSCH3 Disulfide, dimethyl C2 C2v
CH3SSCH3 Disulfide, dimethyl C2 C2v
CH3SSCH3 Disulfide, dimethyl C2 C2v
CH2CHSCHCH2 Divinyl sulfide C2 C2v
CH2CHSCHCH2 Divinyl sulfide C2 C2v
CH2CHSCHCH2 Divinyl sulfide C2 C2v
C3H6O2 1,3-Dioxolane C2 C1
C3H6O2 1,3-Dioxolane C2 C1
C3H6O2 1,3-Dioxolane C2 C1
C6H10 1,5-Hexadiene C2h C1
CH3CH2CH2CH3 Butane C2h C1
C4H8O2 1,4-Dioxane C2h C1
C4H8O2 1,4-Dioxane C2h C1
C4H8O2 1,4-Dioxane C2h C1
C4H10O2 1,4-Butanediol C2h C1
C4H10O2 1,4-Butanediol C2h C1
C4H10O2 1,4-Butanediol C2h C1
C4H10O2 Ethane, 1,2-dimethoxy- C2h C1
C4H10O2 Ethane, 1,2-dimethoxy- C2h C1
C4H10O2 Ethane, 1,2-dimethoxy- C2h C1
CH2SHCH2SH 1,2-Ethanedithiol C2h C1
CH2SHCH2SH 1,2-Ethanedithiol C2h C1
CH2SHCH2SH 1,2-Ethanedithiol C2h C1
CH3CH2CH2CH3 Butane C2h C1
C6H10 1,5-Hexadiene C2h C1
C2H6 Ethane C2h D3d
C2H6O2 1,2-Ethanediol C2h C1
C2H6O2 1,2-Ethanediol C2h C1
C2H6O2 1,2-Ethanediol C2h C1
C6H14 Butane, 2,3-dimethyl- C2h C1
C6H14 Butane, 2,3-dimethyl- C2h C1
C6H14 Butane, 2,3-dimethyl- C2h C1
C6H14 Butane, 2,3-dimethyl- C2h C1
C2H6+ ethane cation C2h D3d
N2F2 Dinitrogen difluoride, (E)- C2h Cs
N2F2 Dinitrogen difluoride, (E)- C2h Cs
N2F2 Dinitrogen difluoride, (E)- C2h Cs
C6H8 trans-2,3,4-Hexatriene C2h Cs
BO2+ Boron dioxide cation C2v C∞v
BO2+ Boron dioxide cation C2v C∞v
BO2- Boron dioxide anion C2v C∞v
BO2- Boron dioxide anion C2v C∞v
BO2 Boron dioxide C2v C∞v
BO2 Boron dioxide C2v C∞v
BH2- boron dihydride anion C2v D∞h
BH2- boron dihydride anion C2v D∞h
BH2- boron dihydride anion C2v D∞h
BH2- boron dihydride anion C2v D∞h
BH2- boron dihydride anion C2v D∞h
BH2 boron dihydride C2v D∞h
BH2 boron dihydride C2v D∞h
BH2 boron dihydride C2v D∞h
BH2 boron dihydride C2v D∞h
BH2 boron dihydride C2v D∞h
BH2+ Boron dihydride cation C2v D∞h
BH2+ Boron dihydride cation C2v D∞h
BH2+ Boron dihydride cation C2v D∞h
BH2+ Boron dihydride cation C2v D∞h
BH2+ Boron dihydride cation C2v D∞h
AlH2- aluminum dihydride anion C2v D∞h
AlH2- aluminum dihydride anion C2v D∞h
AlH2- aluminum dihydride anion C2v D∞h
AlH2- aluminum dihydride anion C2v D∞h
AlH2- aluminum dihydride anion C2v D∞h
AlH2 aluminum dihydride C2v D∞h
AlH2 aluminum dihydride C2v D∞h
AlH2 aluminum dihydride C2v D∞h
AlH2 aluminum dihydride C2v D∞h
AlH2 aluminum dihydride C2v D∞h
AlH2+ aluminum dihydride cation C2v D∞h
AlH2+ aluminum dihydride cation C2v D∞h
AlH2+ aluminum dihydride cation C2v D∞h
AlH2+ aluminum dihydride cation C2v D∞h
AlH2+ aluminum dihydride cation C2v D∞h
AlFCl2 Aluminum dichloride fluoride C2v C1
AlFCl2 Aluminum dichloride fluoride C2v C1
AlFCl2 Aluminum dichloride fluoride C2v C1
CF2Cl2 difluorodichloromethane C2v C1
CF2Cl2 difluorodichloromethane C2v C1
CF2Cl2 difluorodichloromethane C2v C1
CH2Cl2 Methylene chloride C2v C1
CH2Cl2 Methylene chloride C2v C1
CH2Cl2 Methylene chloride C2v C1
CH2F2 Methane, difluoro- C2v C1
CH2F2 Methane, difluoro- C2v C1
CH2F2 Methane, difluoro- C2v C1
CS2- Carbon disulfide anion C2v D∞h
CS2 Carbon disulfide C2v D∞h
CS2+ Carbon disulfide cation C2v D∞h
C5H10O 3-Pentanone C2v C1
C5H10O 3-Pentanone C2v C1
C3H2N2 Malononitrile C2v C1
C3H2N2 Malononitrile C2v C1
C3H2N2 Malononitrile C2v C1
C3H8S2 1,3-Propanedithiol C2v C1
C3H8S2 1,3-Propanedithiol C2v C1
C3H8S2 1,3-Propanedithiol C2v C1
C5H12 Pentane C2v C1
C5H12 Pentane C2v C1
C5H12 Pentane C2v C1
CH4+ Methane cation C2v C3v
CH4+ Methane cation C2v C3v
CH4 Methane C2v C3v
CH4 Methane C2v C3v
CH3COCH3 Acetone C2v C1
CH3COCH3 Acetone C2v C1
CH3COCH3 Acetone C2v C1
CH3COCH3- acetone anion C2v C1
CH3COCH3- acetone anion C2v C1
CH3COCH3- acetone anion C2v C1
C4H10O Ethoxy ethane C2v C1
C4H10O Ethoxy ethane C2v C1
C4H10O Ethoxy ethane C2v C1
NH2CSNH2 Thiourea C2v C2
CH3CCl2CH3 Propane, 2,2-dichloro- C2v C1
CH3CCl2CH3 Propane, 2,2-dichloro- C2v C1
CH3CCl2CH3 Propane, 2,2-dichloro- C2v C1
C5H8 1,2-Butadiene, 3-methyl- C2v C1
C5H8 1,2-Butadiene, 3-methyl- C2v C1
C5H8 1,2-Butadiene, 3-methyl- C2v C1
CO2+ Carbon dioxide cation C2v D∞h
CO2+ Carbon dioxide cation C2v D∞h
C3H8O2 Methane, dimethoxy- C2v C1
CH2CHOCHCH2 Vinyl ether C2v C1
CH2CHOCHCH2 Vinyl ether C2v C1
CH2CHOCHCH2 Vinyl ether C2v C1
CH3OCH3 Dimethyl ether C2v C1
CH3OCH3 Dimethyl ether C2v C1
CH3OCH3 Dimethyl ether C2v C1
CH2C(CH3)CH3 1-Propene, 2-methyl- C2v C1
CH2C(CH3)CH3 1-Propene, 2-methyl- C2v C1
CH2C(CH3)CH3 1-Propene, 2-methyl- C2v C1
C3H8O2 Methane, dimethoxy- C2v C1
CO2- Carbon dioxide anion C2v D∞h
CO2- Carbon dioxide anion C2v D∞h
CO2 Carbon dioxide C2v D∞h
CO2 Carbon dioxide C2v D∞h
C4H6O Cyclobutanone C2v Cs
C4H6O Cyclobutanone C2v Cs
C5H10 Cyclopropane, 1,1-dimethyl- C2v C1
C5H10 Cyclopropane, 1,1-dimethyl- C2v C1
C5H10 Cyclopropane, 1,1-dimethyl- C2v C1
C5H10 Cyclopropane, 1,1-dimethyl- C2v C1
C5H10 Cyclopropane, 1,1-dimethyl- C2v C1
C4H6S Thiophene, 2,5-dihydro- C2v C1
C4H6S Thiophene, 2,5-dihydro- C2v C1
C4H6S Thiophene, 2,5-dihydro- C2v C1
C2H5 Ethyl radical C2v Cs
C2H5 Ethyl radical C2v Cs
C2H5+ Ethyl cation C2v Cs
C2H5+ Ethyl cation C2v Cs
C3H4O Cyclopropanone C2v C1
C3H4O Cyclopropanone C2v C1
C3H4O Cyclopropanone C2v C1
H2O2 Hydrogen peroxide C2v C2h
BF3- Borane, trifluoro- anion C2v D3h
BF3 Borane, trifluoro- C2v D3h
BF3+ boron trifluoride cation C2v D3h
SiH4 Silane C2v C3v
SiH4+ Silane cation C2v C3v
ClF3 Chlorine trifluoride C2v Cs
ClF3 Chlorine trifluoride C2v Cs
ClF3 Chlorine trifluoride C2v Cs
H2O2+ Hydrogen peroxide cation C2v C2h
BF3+ boron trifluoride cation C3v D3h
BF3 Borane, trifluoro- C3v D3h
NH3 Ammonia C3v D3h
NH3 Ammonia C3v D3h
NH3+ ammonia cation C3v D3h
NH3+ ammonia cation C3v D3h
CCl3- Trichloromethyl anion C3v D3h
CCl3- Trichloromethyl anion C3v D3h
CCl3- Trichloromethyl anion C3v D3h
CCl3 Trichloromethyl radical C3v D3h
CCl3 Trichloromethyl radical C3v D3h
CCl3 Trichloromethyl radical C3v D3h
CCl3+ Trichloromethyl cation C3v D3h
CCl3+ Trichloromethyl cation C3v D3h
CCl3+ Trichloromethyl cation C3v D3h
BF3- Borane, trifluoro- anion C3v D3h
SO3 Sulfur trioxide C3v C2v
SO3+ Sulfur trioxide cation C3v C2v
SO3- Sulfur trioxide anion C3v C2v
C(CH3)3 Tert-butyl radical C3v Cs
C(CH3)3 Tert-butyl radical C3v Cs
C(CH3)3 Tert-butyl radical C3v Cs
CF3- Trifluoromethyl anion C3v D3h
CF3- Trifluoromethyl anion C3v D3h
CF3- Trifluoromethyl anion C3v D3h
CF3- Trifluoromethyl anion C3v D3h
CF3 Trifluoromethyl radical C3v D3h
CF3 Trifluoromethyl radical C3v D3h
CF3 Trifluoromethyl radical C3v D3h
CF3 Trifluoromethyl radical C3v D3h
CF3+ Trifluoromethyl cation C3v D3h
CF3+ Trifluoromethyl cation C3v D3h
CF3+ Trifluoromethyl cation C3v D3h
CF3+ Trifluoromethyl cation C3v D3h
CH3- methyl anion C3v D3h
CH3- methyl anion C3v D3h
CH3 Methyl radical C3v D3h
CH3 Methyl radical C3v D3h
CH3+ methyl cation C3v D3h
CH3+ methyl cation C3v D3h
C6H10 1-Butyne, 3,3-dimethyl- C3v C1
C6H10 1-Butyne, 3,3-dimethyl- C3v C1
C6H10 1-Butyne, 3,3-dimethyl- C3v C1
CH3F Methyl fluoride C3v Cs
CH3F Methyl fluoride C3v Cs
CH3F Methyl fluoride C3v Cs
CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- C3v C1
CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- C3v C1
CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- C3v C1
CH3Cl Methyl chloride C3v Cs
CH3Cl Methyl chloride C3v Cs
CH3CCH propyne C3v C1
CH3CCH propyne C3v C1
CH3CCH propyne C3v C1
N(CH3)3 Trimethylamine C3v C1
N(CH3)3 Trimethylamine C3v C1
N(CH3)3 Trimethylamine C3v C1
SiH3F monofluorosilane C3v C1
SiH3F monofluorosilane C3v C1
SiH3F monofluorosilane C3v C1
SiH3- Silyl anion C3v D3h
SiH3- Silyl anion C3v D3h
SiH3- Silyl anion C3v D3h
SiH3- Silyl anion C3v D3h
SiH3- Silyl anion C3v D3h
SiH3 Silyl radical C3v D3h
SiH3 Silyl radical C3v D3h
SiH3 Silyl radical C3v D3h
SiH3 Silyl radical C3v D3h
SiH3 Silyl radical C3v D3h
SiH3+ Silyl cation C3v D3h
SiH3+ Silyl cation C3v D3h
SiH3+ Silyl cation C3v D3h
SiH3+ Silyl cation C3v D3h
SiH3+ Silyl cation C3v D3h
BH3+ boron trihydride cation C3v C2v
SiH3Cl chlorosilane C3v C1
SiH3Cl chlorosilane C3v C1
SiH3Cl chlorosilane C3v C1
F3PO Phosphoryl fluoride C3v C1
F3PO Phosphoryl fluoride C3v C1
F3PO Phosphoryl fluoride C3v C1
BH3- boron trihydride anion C3v C2v
BH3 boron trihydride C3v C2v
C2H6+ ethane cation Ci D3d
C2H6 Ethane Ci D3d
C4H6O2 2,3-Butanedione Ci C2h
C3H6N2 3-Aminopropionitrile Cs C1
C3H6N2 3-Aminopropionitrile Cs C1
C3H6N2 3-Aminopropionitrile Cs C1
CH3NHCH3 Dimethylamine Cs C1
CH3NHCH3 Dimethylamine Cs C1
CH3NHCH3 Dimethylamine Cs C1
C5H12O 1-Butanol, 3-methyl- Cs C1
C5H12O 1-Butanol, 3-methyl- Cs C1
C5H12O 1-Butanol, 3-methyl- Cs C1
C4H9N Pyrrolidine Cs C1
C4H9N Pyrrolidine Cs C1
C4H9N Pyrrolidine Cs C1
HCOOC2H5 Ethyl formate Cs C1
HCOOC2H5 Ethyl formate Cs C1
HCOOC2H5 Ethyl formate Cs C1
C5H10 2-Butene, 2-methyl- Cs C1
C5H10 2-Butene, 2-methyl- Cs C1
C5H10 2-Butene, 2-methyl- Cs C1
C4H8O2 1,3-Dioxane Cs C1
C4H8O2 1,3-Dioxane Cs C1
CH3ONO Methyl nitrite Cs C1
CH3ONO Methyl nitrite Cs C1
CH3ONO Methyl nitrite Cs C1
CH2CCHCH3 1,2-Butadiene Cs C1
CH2CCHCH3 1,2-Butadiene Cs C1
CH2CCHCH3 1,2-Butadiene Cs C1
C5H8 1,2-Pentadiene Cs C1
CH2ClCHCHCH3 2-Butene, 1-chloro- Cs C1
CH2ClCHCHCH3 2-Butene, 1-chloro- Cs C1
CH2ClCHCHCH3 2-Butene, 1-chloro- Cs C1
C6H12 1-Hexene Cs C1
C6H12 1-Hexene Cs C1
C5H8 Bicyclo[2.1.0]pentane Cs C1
C5H8 Bicyclo[2.1.0]pentane Cs C1
C5H8 Bicyclo[2.1.0]pentane Cs C1
C3H4N2 1H-Pyrazole Cs C1
C3H4N2 1H-Pyrazole Cs C1
C3H4N2 1H-Pyrazole Cs C1
CH3OC2H5 Ethane, methoxy- Cs C1
CH3OC2H5 Ethane, methoxy- Cs C1
CH3OC2H5 Ethane, methoxy- Cs C1
C5H11Cl Pentane, 1-chloro- Cs C1
C5H11Cl Pentane, 1-chloro- Cs C1
C5H11Cl Pentane, 1-chloro- Cs C1
C3H7ONO Propyl nitrite Cs C1
C5H6S Thiophene, 2-methyl- Cs C1
C5H6S Thiophene, 2-methyl- Cs C1
C5H6S Thiophene, 2-methyl- Cs C1
C4H10O 1-Butanol Cs C1
CH3CN- acetonitrile anion Cs C3v
CH3CN- acetonitrile anion Cs C3v
CH3CN Acetonitrile Cs C3v
CH3CN Acetonitrile Cs C3v
CH3CN+ Acetonitrile cation Cs C3v
CH3CN+ Acetonitrile cation Cs C3v
HCN- Hydrogen cyanide anion Cs C∞v
HCN- Hydrogen cyanide anion Cs C∞v
HCN Hydrogen cyanide Cs C∞v
HCN Hydrogen cyanide Cs C∞v
HCN+ hydrogen cyanide cation Cs C∞v
HCN+ hydrogen cyanide cation Cs C∞v
CH3OH- Methyl alcohol anion Cs C1
CH3OH- Methyl alcohol anion Cs C1
CH3OH- Methyl alcohol anion Cs C1
CH3OH- Methyl alcohol anion Cs C1
CH3OH- Methyl alcohol anion Cs C1
CH3OH Methyl alcohol Cs C1
CH3OH Methyl alcohol Cs C1
CH3OH Methyl alcohol Cs C1
CH3OH Methyl alcohol Cs C1
CH3OH Methyl alcohol Cs C1
CH3OH+ Methyl alcohol cation Cs C1
CH3OH+ Methyl alcohol cation Cs C1
CH3OH+ Methyl alcohol cation Cs C1
CH3OH+ Methyl alcohol cation Cs C1
CH3OH+ Methyl alcohol cation Cs C1
CH3COCH3- acetone anion Cs C1
CH3COCH3 Acetone Cs C1
NH2CONH2+ Urea cation Cs C2v
NH2CONH2 Urea Cs C2v
H2CO- formaldehyde anion Cs C2v
H2CO Formaldehyde Cs C2v
H2CO+ formaldehyde cation Cs C2v
C6H14 Butane, 2,2-dimethyl- Cs C1
C6H14 Butane, 2,2-dimethyl- Cs C1
C6H14 Butane, 2,2-dimethyl- Cs C1
CH3COCH2CH3 2-Butanone Cs C1
CH3COCH2CH3 2-Butanone Cs C1
CH3COCH2CH3 2-Butanone Cs C1
CH3NO2 Methane, nitro- Cs C1
CH3NO2 Methane, nitro- Cs C1
CH3NO2 Methane, nitro- Cs C1
C(CH3)3NH2 2-Propanamine, 2-methyl- Cs C1
C4H10O Ethanol, 1,1-dimethyl- Cs C1
C(CH3)3SH 2-Propanethiol, 2-methyl- Cs C1
C(CH3)3SH 2-Propanethiol, 2-methyl- Cs C1
CH2ClCH2CH2CH3 Butane, 1-chloro- Cs C1
CH2ClCH2CH2CH3 Butane, 1-chloro- Cs C1
CH2ClCH2CH2CH3 Butane, 1-chloro- Cs C1
C(NH2)H2CH2CH2CH3 1-Butanamine Cs C1
C(NH2)H2CH2CH2CH3 1-Butanamine Cs C1
C(NH2)H2CH2CH2CH3 1-Butanamine Cs C1
CH3CH2CH2CN Butanenitrile Cs C1
CH3CH2CH2CN Butanenitrile Cs C1
CH3CH2CH2CN Butanenitrile Cs C1
CHCCH2CH3 1-Butyne Cs C1
CHCCH2CH3 1-Butyne Cs C1
CHCCH2CH3 1-Butyne Cs C1
C3H6O 2-Propen-1-ol Cs C1
C6H12 Cyclopentane, methyl- Cs C1
CH3CHNOH Acetaldoxime Cs C1
CH3CHNOH Acetaldoxime Cs C1
CH3CHNOH Acetaldoxime Cs C1
CH3CHNOH Acetaldoxime Cs C1
C5H10O 2-Pentanone Cs C1
C6H10 2-Hexyne Cs C1
C6H10 2-Hexyne Cs C1
C6H10 2-Hexyne Cs C1
C3H7N Cyclopropylamine Cs C1
C3H7N Cyclopropylamine Cs C1
C3H7N Cyclopropylamine Cs C1
C5H8O Methyl cyclopropyl ketone Cs C1
C4H12N2 2-Methyl-1,2-propanediamine Cs C1
C4H12N2 2-Methyl-1,2-propanediamine Cs C1
C4H12N2 2-Methyl-1,2-propanediamine Cs C1
C5H12O Butane, 1-methoxy- Cs C1
C5H12O Butane, 1-methoxy- Cs C1
C5H12O Butane, 1-methoxy- Cs C1
C5H12O Propane, 1-ethoxy- Cs C1
C5H12O Propane, 1-ethoxy- Cs C1
C5H12O Propane, 1-ethoxy- Cs C1
C4H9ClO 1-Chloro-2-ethoxyethane Cs C1
C4H9ClO 1-Chloro-2-ethoxyethane Cs C1
C4H9ClO 1-Chloro-2-ethoxyethane Cs C1
C5H8 Ethenylcyclopropane Cs C1
C5H11N Cyclopentanamine Cs C1
C5H11N Cyclopentanamine Cs C1
C5H11N Cyclopentanamine Cs C1
C4H6OS Vinyl sulfoxide Cs C1
C4H6OS Vinyl sulfoxide Cs C1
C4H6OS Vinyl sulfoxide Cs C1
C5H8 Cyclobutane, methylene- Cs C1
C5H8 Cyclobutane, methylene- Cs C1
C5H8 Cyclobutane, methylene- Cs C1
C4H7NO Oxazole, 4,5-dihydro-2-methyl- Cs C1
C4H7NO Oxazole, 4,5-dihydro-2-methyl- Cs C1
C4H7NO Oxazole, 4,5-dihydro-2-methyl- Cs C1
C5H12O Propane, 2-methoxy-2-methyl- Cs C1
C5H12O Propane, 2-methoxy-2-methyl- Cs C1
C5H12O Propane, 2-methoxy-2-methyl- Cs C1
C5H8 1,3-Pentadiene, (Z)- Cs C1
C5H8 1,3-Pentadiene, (Z)- Cs C1
C5H8 1,3-Pentadiene, (Z)- Cs C1
C2H3 vinyl Cs C2v
C2H3 vinyl Cs C2v
C2H3+ vinyl cation Cs C2v
C2H3+ vinyl cation Cs C2v
C4H8O Cyclobutanol Cs C1
C4H8O Cyclobutanol Cs C1
C4H8O Cyclobutanol Cs C1
C3H3- Propargyl anion Cs C2v
C3H3 Propargyl radical Cs C2v
C3H3+ Propargyl cation Cs C2v
CH3CO- Acetyl anion Cs C3v
CH3CO- Acetyl anion Cs C3v
CH3CO- Acetyl anion Cs C3v
CH3CO- Acetyl anion Cs C3v
CH3CO Acetyl radical Cs C3v
CH3CO Acetyl radical Cs C3v
CH3CO Acetyl radical Cs C3v
CH3CO Acetyl radical Cs C3v
CH3CO+ acetyl cation Cs C3v
CH3CO+ acetyl cation Cs C3v
CH3CO+ acetyl cation Cs C3v
CH3CO+ acetyl cation Cs C3v
CH3CH2O Ethoxy radical Cs C1
CH3CH2O Ethoxy radical Cs C1
C5H10S 2H-Thiopyran, tetrahydro- Cs C1
C5H10S 2H-Thiopyran, tetrahydro- Cs C1
C2H- Ethynyl anion Cs C∞v
C2H Ethynyl radical Cs C∞v
C2H+ Ethynyl cation Cs C∞v
CH3OCH2CN Methoxyacetonitrile Cs C1
C6H10 Cyclopentene, 4-methyl- Cs C1
C3H7 Isopropyl radical Cs C2
C3H7 Isopropyl radical Cs C2
C3H7 Isopropyl radical Cs C2
C4H9N Cyclobutylamine Cs C1
C4H9N Cyclobutylamine Cs C1
C4H9N Cyclobutylamine Cs C1
C4H11NO Diethylhydroxylamine Cs C1
C4H11NO Diethylhydroxylamine Cs C1
C4H11NO Diethylhydroxylamine Cs C1
C2H4N4 1H-Tetrazole, 5-methyl- Cs C1
C2H4N4 1H-Tetrazole, 5-methyl- Cs C1
C2H4N4 1H-Tetrazole, 5-methyl- Cs C1
C5H7N Cyclobutanecarbonitrile Cs C1
C5H7N Cyclobutanecarbonitrile Cs C1
CH3CClCHCH3 2-Butene, 2-chloro-, (E)- Cs C1
CH3CClCHCH3 2-Butene, 2-chloro-, (E)- Cs C1
CH3CClCHCH3 2-Butene, 2-chloro-, (E)- Cs C1
C5H12S Propane, 2-(ethylthio)- Cs C1
C5H12S Propane, 2-(ethylthio)- Cs C1
C5H12S Propane, 2-(ethylthio)- Cs C1
C5H6 Bicyclo[2.1.0]pent-2-ene Cs C1
C5H6 Bicyclo[2.1.0]pent-2-ene Cs C1
C5H6 Bicyclo[2.1.0]pent-2-ene Cs C1
C5H6 Bicyclo[2.1.0]pent-2-ene Cs C1
C5H10S 3-Ethylthio-1-propene Cs C1
C5H10S 3-Ethylthio-1-propene Cs C1
C5H10S 3-Ethylthio-1-propene Cs C1
C5H12S Propane, 2-methyl-2-(methylthio)- Cs C1
C5H12S Propane, 2-methyl-2-(methylthio)- Cs C1
C5H12S Propane, 2-methyl-2-(methylthio)- Cs C1
C5H6 Cyclopropylacetylene Cs C1
C5H6 Cyclopropylacetylene Cs C1
C5H6 Cyclopropylacetylene Cs C1
H2O- water anion Cs C2v
H2O- water anion Cs C2v
H2O Water Cs C2v
H2O Water Cs C2v
H2O+ water cation Cs C2v
H2O+ water cation Cs C2v
H2S- Hydrogen sulfide anion Cs C2v
H2S- Hydrogen sulfide anion Cs C2v
H2S Hydrogen sulfide Cs C2v
H2S Hydrogen sulfide Cs C2v
H2S+ Hydrogen sulfide cation Cs C2v
H2S+ Hydrogen sulfide cation Cs C2v
NH2OH hydroxylamine Cs C1
NH2OH hydroxylamine Cs C1
NH2OH hydroxylamine Cs C1
N2O- Nitrous oxide anion Cs C∞v
N2O Nitrous oxide Cs C∞v
N2O+ Nitrous oxide cation Cs C∞v
OClO- Chlorine dioxide anion Cs C2v
OClO Chlorine dioxide Cs C2v
OClO+ Chlorine dioxide cation Cs C2v
MgOH magnesium hydroxide Cs C∞v
MgOH magnesium hydroxide Cs C∞v
MgOH magnesium hydroxide Cs C∞v
HDO Water-d1 Cs C2v
HDO Water-d1 Cs C2v
C4H7NO Ethoxyacetonitrile Cs C1
BO2+ Boron dioxide cation D∞h C∞v
BO2+ Boron dioxide cation D∞h C∞v
BO2+ Boron dioxide cation D∞h C∞v
BO2+ Boron dioxide cation D∞h C∞v
BO2 Boron dioxide D∞h C∞v
BO2 Boron dioxide D∞h C∞v
BO2 Boron dioxide D∞h C∞v
BO2 Boron dioxide D∞h C∞v
HD Deuterium hydride D∞h C∞v
HD Deuterium hydride D∞h C∞v
NO2- Nitrogen dioxide anion D∞h C2v
NO2- Nitrogen dioxide anion D∞h C2v
NO2 Nitrogen dioxide D∞h C2v
NO2 Nitrogen dioxide D∞h C2v
NO2+ Nitrogen dioxide cation D∞h C2v
NO2+ Nitrogen dioxide cation D∞h C2v
BO2- Boron dioxide anion D∞h C∞v
BO2- Boron dioxide anion D∞h C∞v
BO2- Boron dioxide anion D∞h C∞v
BO2- Boron dioxide anion D∞h C∞v
BeH2 beryllium dihydride D∞h C∞v
BeH2 beryllium dihydride D∞h C∞v
BeH2 beryllium dihydride D∞h C∞v
BeH2+ Beryllium dihydride cation D∞h C∞v
BeH2+ Beryllium dihydride cation D∞h C∞v
BeH2+ Beryllium dihydride cation D∞h C∞v
MgH2 magnesium dihydride D∞h C∞v
MgH2 magnesium dihydride D∞h C∞v
CH2- methylene anion D∞h C2v
CH2 Methylene D∞h C2v
CH2+ methylene cation D∞h C2v
C3O2 Carbon suboxide D∞h C2v
C3O2 Carbon suboxide D∞h C2v
C3O2 Carbon suboxide D∞h C2v
C3O2 Carbon suboxide D∞h C2v
C3O2+ Carbon suboxide cation D∞h C2v
C3O2+ Carbon suboxide cation D∞h C2v
C3O2+ Carbon suboxide cation D∞h C2v
C3O2+ Carbon suboxide cation D∞h C2v
C2N2 Cyanogen D∞h C∞v
C2N2 Cyanogen D∞h C∞v
C2N2 Cyanogen D∞h C∞v
C2N2 Cyanogen D∞h C∞v
C2N2+ Cyanogen cation D∞h C∞v
C2N2+ Cyanogen cation D∞h C∞v
C2N2+ Cyanogen cation D∞h C∞v
C2N2+ Cyanogen cation D∞h C∞v
C6H12 2-Butene, 2,3-dimethyl- D2 C1
C6H12 2-Butene, 2,3-dimethyl- D2 C1
C6H12 2-Butene, 2,3-dimethyl- D2 C1
C2H4- Ethylene anion D2 D2h
C2H4 Ethylene D2 D2h
C2H4+ Ethylene cation D2 D2h
C4H8 cyclobutane D2d C2
C4H8 cyclobutane D2d C2
CH2CCH2 allene D2d D2
CH2CCH2 allene D2d D2
CH2CCH2 allene D2d D2
C5H8 Spiropentane D2d Cs
C5H8 Spiropentane D2d Cs
C5H8 Spiropentane D2d Cs
C4H4N2 Pyrazine D2h Cs
C4H4N2 Pyrazine D2h Cs
C4H4N2 Pyrazine D2h Cs
C6H8 1,4-Cyclohexadiene D2h C1
C6H8 1,4-Cyclohexadiene D2h C1
C6H8 1,4-Cyclohexadiene D2h C1
N2O4 Dinitrogen tetroxide D2h Cs
N2O4 Dinitrogen tetroxide D2h Cs
C6H8 Bicyclo[2.2.0]hex-1(4)-ene D2h C1
C6H8 Bicyclo[2.2.0]hex-1(4)-ene D2h C1
C6H8 Bicyclo[2.2.0]hex-1(4)-ene D2h C1
C6H6 2,4-Hexadiyne D3d D3h
C6H12 Cyclohexane D3d C1
C6H12 Cyclohexane D3d C1
C6H12 Cyclohexane D3d C1
C3H3N3 1,3,5-Triazine D3h C2v
C3H3N3 1,3,5-Triazine D3h C2v
C3H3N3 1,3,5-Triazine D3h C2v
CH3CCCH3 2-Butyne D3h C1
CH3CCCH3 2-Butyne D3h C1
CH3CCCH3 2-Butyne D3h C1
C3H6 Cyclopropane D3h C2v
C3H6 Cyclopropane D3h C2v
C3H6 Cyclopropane D3h C2v
C2H6 Ethane D3h D3d
C2H6+ ethane cation D3h D3d
PF5 Phosphorus pentafluoride D3h Cs
PF5 Phosphorus pentafluoride D3h Cs
PF5 Phosphorus pentafluoride D3h Cs
AlF3 Aluminum trifluoride D3h C2v
AlF3 Aluminum trifluoride D3h C2v
AlF3 Aluminum trifluoride D3h C2v
AlH3- aluminum trihydride anion D3h C2v
AlH3- aluminum trihydride anion D3h C2v
AlH3- aluminum trihydride anion D3h C2v
AlH3- aluminum trihydride anion D3h C2v
AlH3- aluminum trihydride anion D3h C2v
AlH3- aluminum trihydride anion D3h C2v
AlH3- aluminum trihydride anion D3h C2v
AlH3 aluminum trihydride D3h C2v
AlH3 aluminum trihydride D3h C2v
AlH3 aluminum trihydride D3h C2v
AlH3 aluminum trihydride D3h C2v
AlH3 aluminum trihydride D3h C2v
AlH3 aluminum trihydride D3h C2v
AlH3 aluminum trihydride D3h C2v
AlH3+ aluminum trihydride cation D3h C2v
AlH3+ aluminum trihydride cation D3h C2v
AlH3+ aluminum trihydride cation D3h C2v
AlH3+ aluminum trihydride cation D3h C2v
AlH3+ aluminum trihydride cation D3h C2v
AlH3+ aluminum trihydride cation D3h C2v
AlH3+ aluminum trihydride cation D3h C2v
SO3 Sulfur trioxide D3h C2v
SO3 Sulfur trioxide D3h C2v
SO3 Sulfur trioxide D3h C2v
SO3 Sulfur trioxide D3h C2v
SO3 Sulfur trioxide D3h C2v
SO3 Sulfur trioxide D3h C2v
SO3+ Sulfur trioxide cation D3h C2v
SO3+ Sulfur trioxide cation D3h C2v
SO3+ Sulfur trioxide cation D3h C2v
SO3+ Sulfur trioxide cation D3h C2v
SO3+ Sulfur trioxide cation D3h C2v
SO3+ Sulfur trioxide cation D3h C2v
AlCl3 Aluminum trichloride D3h C2v
AlCl3 Aluminum trichloride D3h C2v
AlCl3 Aluminum trichloride D3h C2v
SO3- Sulfur trioxide anion D3h C2v
SO3- Sulfur trioxide anion D3h C2v
SO3- Sulfur trioxide anion D3h C2v
SO3- Sulfur trioxide anion D3h C2v
SO3- Sulfur trioxide anion D3h C2v
SO3- Sulfur trioxide anion D3h C2v
PCl5 Phosphorus pentachloride D3h C1
PCl5 Phosphorus pentachloride D3h C1
PCl5 Phosphorus pentachloride D3h C1
BH3- boron trihydride anion D3h C2v
BH3- boron trihydride anion D3h C2v
BH3 boron trihydride D3h C2v
BH3 boron trihydride D3h C2v
BH3 boron trihydride D3h C2v
BH3 boron trihydride D3h C2v
BH3 boron trihydride D3h C2v
BH3+ boron trihydride cation D3h C2v
BH3+ boron trihydride cation D3h C2v
BH3- boron trihydride anion D3h C2v
BH3- boron trihydride anion D3h C2v
BH3- boron trihydride anion D3h C2v
BH3- boron trihydride anion D3h C2v
BH3- boron trihydride anion D3h C2v
BH3 boron trihydride D3h C2v
BH3 boron trihydride D3h C2v
BH3+ boron trihydride cation D3h C2v
BH3+ boron trihydride cation D3h C2v
BH3+ boron trihydride cation D3h C2v
BH3+ boron trihydride cation D3h C2v
BH3+ boron trihydride cation D3h C2v
C6H6 Benzene D6h C2h
C6H6 Benzene D6h C2h
Si- Silicon atom anion Oh Kh
Si- Silicon atom anion Oh Kh
Si Silicon atom Oh Kh
Si Silicon atom Oh Kh
Si+ Silicon atom cation Oh Kh
Si+ Silicon atom cation Oh Kh
SiF4 Silicon tetrafluoride Td C3v
SiF4 Silicon tetrafluoride Td C3v
SiCl4 Silane, tetrachloro- Td C3v
SiCl4 Silane, tetrachloro- Td C3v
SiH4+ Silane cation Td C3v
SiH4+ Silane cation Td C3v
SiH4 Silane Td C3v
SiH4 Silane Td C3v
CH4 Methane Td C3v
CH4 Methane Td C3v
CH4+ Methane cation Td C3v
CH4 Methane Td C3v
CH4+ Methane cation Td C3v
CH4+ Methane cation Td C3v
CCl4 Carbon tetrachloride Td C3v
CCl4 Carbon tetrachloride Td C3v
CF4 Carbon tetrafluoride Td C3v
CF4 Carbon tetrafluoride Td C3v
C5H12 Propane, 2,2-dimethyl- Td C1
C5H12 Propane, 2,2-dimethyl- Td C1
P4 Phosphorus tetramer Td D2d
P4 Phosphorus tetramer Td D2d

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