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All molecules sorted by Point Group

Point GroupSpeciesNameSpeciesNameSpeciesName
C∞v HD Deuterium hydride
C∞v HeH Helium hydride HeH+ Helium hydride cation
C∞v LiH Lithium Hydride LiH- lithium hydride anion LiH+ lithium hydride cation
C∞v BeH beryllium monohydride BeH- berylium monohydride anion BeH+ beryllium monohydride cation
C∞v BeH2+ Beryllium dihydride cation
C∞v BH Boron monohydride BH Boron monohydride BH- boron monohydride anion BH- boron monohydride anion BH+ boron monohydride cation
C∞v CH Methylidyne CH Methylidyne CH Methylidyne CH Methylidyne CH- methylidyne anion CH+ Methylidyne cation
C∞v NH Imidogen NH Imidogen NH Imidogen NH- Imidogen anion NH+ imidogen cation
C∞v OH Hydroxyl radical OH- hydroxide anion OH+ hydoxyl cation OH+ hydoxyl cation OH+ hydoxyl cation
C∞v DO Hydroxyl-d
C∞v HF Hydrogen fluoride HF- hydrogen fluoride anion HF+ hydrogen fluoride cation
C∞v DF Hydrofluoric acid-d
C∞v NeH neon hydrogen NeH+ neon hydrogen cation
C∞v NaH sodium hydride NaH- sodium hydride anion NaH+ sodium hydride cation
C∞v MgH magnesium monohydride MgH- magnesium monohydride anion MgH+ magnesium monohydride cation
C∞v AlH aluminum monohydride AlH- aluminum monohydride anion AlH+ aluminum monohydride cation
C∞v SiH Silylidyne SiH- silicon monohydride anion SiH+ silicon monohydride cation
C∞v PH phosphorus monohydride PH phosphorus monohydride PH phosphorus monohydride PH- phosphorus monohydride anion PH+ phosphorus monohydride cation
C∞v DS Mercapto-d
C∞v HS Mercapto radical HS- mercapto anion HS+ sulfur monohydride cation HS+ sulfur monohydride cation
C∞v HCl Hydrogen chloride HCl- hydrogen chloride anion HCl+ hydrogen chloride cation
C∞v DCl Hydrochloric acid-d
C∞v ArH+ Argon hydride cation
C∞v H2Ar H2 Ar dimer
C∞v KH Potassium hydride KH+ Potassium hydrogen cation
C∞v CaH Calcium monohydride CaH+ Calcium monohydride cation
C∞v ScH Scandium monohydride ScH+ Scandium monohydride cation
C∞v TiH Titanium monohydride
C∞v CrH Chromium hydride CrH+ Chromium hydride cation
C∞v CuH Copper monohydride
C∞v ZnH Zinc monohydride ZnH+ Zinc, protonated
C∞v GaH Gallium monohydride GaH+ Gallium monohydride cation
C∞v GeH germylidene GeH+ Germaniun monohyrdide cation
C∞v AsH Arsenic monohydride AsH Arsenic monohydride AsH+ Arsenic monohydride cation
C∞v HSe Selenium monohydride HSe- selenium monohydride anion HSe+ selenium monohydride cation HSe+ selenium monohydride cation
C∞v HBr hydrogen bromide HBr- hydrogen bromide anion HBr+ hydrogen bromide cation
C∞v KrH+ Protonated Krypton
C∞v HI Hydrogen iodide
C∞v LiBe Lithium Beryllium
C∞v LiB Lithium boride
C∞v BeB Beryllium monoboride
C∞v LiC Lithium Carbide
C∞v BeC beryllium carbide triplet
C∞v BC boron monocarbide BC boron monocarbide BC- boron monocarbide anion BC- boron monocarbide anion BC+ boron monocarbide cation BC+ boron monocarbide cation
C∞v C2H Ethynyl radical C2H- Ethynyl anion C2H+ Ethynyl cation C2H+ Ethynyl cation
C∞v LiN Lithium Nitride LiN Lithium Nitride LiN+ Lithium Nitride cation LiN+ Lithium Nitride cation
C∞v BeN Beryllium mononitride BeN Beryllium mononitride BeN- Beryllium mononitride anion BeN+ Beryllium mononitride cation BeN+ Beryllium mononitride cation
C∞v BN boron nitride BN boron nitride BN- boron nitride anion BN+ boron nitride cation
C∞v CN Cyano radical CN- cyanide anion CN+ Cyano cation
C∞v HNB hydrogen nitrogen boron
C∞v HCN Hydrogen cyanide HCN+ hydrogen cyanide cation
C∞v HNC hydrogen isocyanide
C∞v NNH+ Dinitrogen monohydride cation
C∞v HBNH Boranimine
C∞v LiO lithium oxide LiO- lithium oxide anion LiO- lithium oxide anion LiO+ lithium oxide cation LiO+ lithium oxide cation
C∞v BeO beryllium oxide BeO- Beryllium monoxide anion BeO+ Beryllium monoxide cation
C∞v BO boron monoxide BO- boron monoxide anion BO+ boron monoxide cation
C∞v CO Carbon monoxide CO Carbon monoxide CO- carbon monoxide anion CO+ carbon monoxide cation
C∞v NO Nitric oxide NO- nitric oxide anion NO- nitric oxide anion NO+ nitric oxide cation
C∞v LiOH lithium hydroxide
C∞v BeOH beryllium hydroxide
C∞v HBO Boron hydride oxide
C∞v HCO+ Formyl cation
C∞v COH+ Carbon Monoxide, protonated
C∞v HO2 Hydroperoxy radical HO2+ Hydroperoxy cation (conformer 2)
C∞v LiF lithium fluoride LiF- lithium fluoride anion LiF+ lithium fluoride cation
C∞v BeF Beryllium monofluoride BeF- Beryllium monofluoride anion BeF+ Beryllium monofluoride cation
C∞v BF Boron monofluoride BF- Boron monofluoride anion BF+ Boron monofluoride cation
C∞v CF Fluoromethylidyne CF- carbon monofluoride anion CF- carbon monofluoride anion CF+ carbon monofluoride cation
C∞v NF nitrogen fluoride NF nitrogen fluoride NF- nitrogen monofluorine anion NF+ nitrogen monofluoirde cation
C∞v FO Oxygen monofluoride FO- flourine oxide anion FO+ fluorine monoxide cation
C∞v LiNe+ Lithium Neon cation
C∞v NaLi lithium sodium NaLi- lithium sodium anion NaLi+ lithium sodium cation
C∞v NaBe Sodium Beryllium
C∞v NaO sodium monoxide NaO- sodium oxide anion NaO+ sodium oxide cation
C∞v NaF sodium fluoride NaF- sodium fluoride anion NaF+ sodium fluoride cation
C∞v NaOH sodium hydroxide
C∞v LiMg Lithium magnesium
C∞v BeMg Beryllium Magnesium
C∞v MgN Magnesium Nitride
C∞v MgO magnesium oxide MgO- magnesium oxide anion MgO+ magnesium oxide cation
C∞v MgF Magnesium monofluoride MgF- magnesium fluoride anion MgF+ magnesium fluoride cation
C∞v NaMg Sodium Magnesium
C∞v MgOH magnesium hydroxide
C∞v BAl Boron Aluminum
C∞v AlC Aluminum carbide
C∞v AlN Aluminum nitride AlN Aluminum nitride AlN- aluminum mononitride anion AlN+ aluminum mononitride cation
C∞v AlO Aluminum monoxide AlO- Aluminum monoxide anion AlO+ aluminum monoxide cation
C∞v AlF Aluminum monofluoride AlF- Aluminum monofluoride anion AlF+ Aluminum monofluoride cation
C∞v NaAl Sodium aluminum
C∞v BSi Boron silicide BSi Boron silicide
C∞v SiC silicon monocarbide SiC silicon monocarbide SiC- silicon monocarbide anion SiC+ silicon monocarbide cation
C∞v SiN Silicon nitride SiN- silicon mononitride anion SiN+ silicon mononitride cation
C∞v SiO Silicon monoxide SiO- silicon monoxide anion SiO+ silicon monoxide cation
C∞v SiF silicon monofluoride SiF- silicon monofluoride anion SiF- silicon monofluoride anion SiF+ silicon monofluoride cation
C∞v BP Boron monophosphide BP Boron monophosphide
C∞v CP Carbon monophosphide CP- carbon monophosphide anion CP+ carbon monophosphide cation CP+ carbon monophosphide cation
C∞v PN Phosphorus mononitride PN- phosphorus nitride anion PN+ phosphorus nitride cation
C∞v PO Phosphorus monoxide PO- phosphorus monoxide anion PO+ phosphorus monoxide cation
C∞v PF phosphorus monofluoride PF phosphorus monofluoride PF phosphorus monofluoride PF- phosphorus monofluoride anion PF+ phosphorus monofluoride cation
C∞v AlP Aluminum monophosphide AlP Aluminum monophosphide AlP Aluminum monophosphide
C∞v SiP Silicon monophosphide SiP- Silicon monophosphide anion SiP+ Silicon monophosphide cation SiP+ Silicon monophosphide cation
C∞v LiS Lithium monosulfide LiS+ Lithium sulfide cation
C∞v BeS beryllium sulfide BeS- Beryllium monosulfide anion BeS+ Beryllium monosulfide cation
C∞v BS boron sulfide BS- boron monosulfide anion BS+ boron monosulfide cation
C∞v CS carbon monosulfide CS- carbon monosulfide anion CS+ carbon monosulfide cation
C∞v NS Mononitrogen monosulfide NS- nitrogen sulfide anion NS- nitrogen sulfide anion NS+ nitrogen sulfide cation
C∞v SO Sulfur monoxide SO Sulfur monoxide SO- sulfur monoxide anion SO+ sulfur monoxide cation
C∞v SF Monosulfur monofluoride SF- sulfur monofluoride anion SF+ sulfur monofluoride cation SF+ sulfur monofluoride cation
C∞v NaS Sodium sulfide
C∞v MgS magnesium sulfide MgS- magnesium sulfide anion MgS+ magnesium sulfide cation
C∞v AlS Aluminum sulfide AlS- aluminum monosulfide anion AlS+ aluminum monosulfide cation
C∞v SiS silicon monosulfide SiS- silicon monosulfide anion SiS+ silicon monosulfide cation
C∞v PS phosphorus sulfide PS- phosphorus monosulfide anion PS- phosphorus monosulfide anion PS+ phosphorus monosulfide cation
C∞v HBS hydrogen boron sulfide
C∞v HCS Thioformyl radical HCS+ Thioformyl cation
C∞v LiCl lithium chloride LiCl- lithium chloride anion LiCl+ lithium chloride cation
C∞v BeCl beryllium monochloride BeCl- beryllium monochloride anion BeCl+ beryllium monochloride cation
C∞v BCl boron monochloride BCl- boron monochloride anion BCl+ boron monochloride cation
C∞v CCl carbon monochloride CCl- carbon monochloride anion CCl+ carbon monochloride cation
C∞v NCl nitrogen monochloride NCl nitrogen monochloride NCl- nitrogen monochloride anion NCl+ nitrogen monochloride cation
C∞v ClO Monochlorine monoxide ClO- chlorine monoxide anion ClO+ chlorine monoxide cation ClO+ chlorine monoxide cation
C∞v ClF Chlorine monofluoride ClF- clorine monofluoride anion ClF+ clorine monofluoride cation
C∞v NaCl Sodium Chloride NaCl- sodium chloride anion NaCl+ sodium chloride cation
C∞v MgCl magnesium monochloride MgCl- magnesium monochloride anion MgCl+ magnesium monochloride cation
C∞v AlCl Aluminum monochloride AlCl- aluminum monochloride anion AlCl+ aluminum monochloride cation
C∞v SiCl Clorosilylidyne SiCl- silicon monochloride anion SiCl+ silicon monochloride cation
C∞v PCl phosphorus chloride PCl phosphorus chloride PCl- phosphorus monochloride anion PCl+ phosphorus monochloride cation
C∞v SCl sulfur monochloride SCl- sulfur monochloride anion SCl+ sulfur monochloride cation SCl+ sulfur monochloride cation
C∞v HCCl Chloromethylene
C∞v LiK Lithium Potassium
C∞v KO Potassium monoxide KO+ Potassium monoxide cation
C∞v KF Potassium Fluoride
C∞v NaK Sodium Potassium NaK+ Sodium Potassium dimer cation
C∞v KCl Potassium Chloride
C∞v KOH Potassium hydroxide
C∞v CaC Calcium monocarbide
C∞v CaO Calcium monoxide
C∞v CaF Calcium monofluoride
C∞v CaS Calcium sulfide CaS Calcium sulfide
C∞v CaCl calcium monochloride
C∞v CaOH Calcium monohydroxide
C∞v ScO Scandium monoxide
C∞v ScF Scandium monofluoride ScF Scandium monofluoride
C∞v TiN Titanium mononitride
C∞v TiO Titanium monoxide
C∞v TiCl Titanium Monochloride
C∞v VO Vanadium monoxide
C∞v CuO Copper Monoxide
C∞v CuF Copper monofluoride
C∞v CuCl Copper monochloride
C∞v ZnO zinc monoxide
C∞v ZnF Zinc monofluoride ZnF- Zinc monofluoride anion ZnF+ Zinc monofluoride cation
C∞v ZnS Zinc sulfide ZnS Zinc sulfide
C∞v ZnCl Zinc monochloride
C∞v BGa Boron Gallium
C∞v GaN Gallium mononitride GaN Gallium mononitride
C∞v GaO Gallium monoxide
C∞v GaF Gallium monofluoride GaF+ Gallium monofluoride cation
C∞v AlGa Aluminum Gallium AlGa Aluminum Gallium
C∞v GaP Gallium monophosphide GaP Gallium monophosphide GaP Gallium monophosphide GaP Gallium monophosphide
C∞v GaCl Gallium monochloride GaCl+ Gallium monochloride cation
C∞v GeC Germanium monocarbide
C∞v GeO Germanium monoxide GeO+ Germanium monoxide cation
C∞v GeF Germanium monofluoride GeF+ Germanium monofluoride cation
C∞v GeS Germanium monosulfide
C∞v GeCl Germanium monochloride
C∞v AsN Arsenic mononitride
C∞v AsO Arsenic monoxide
C∞v AsF Arsenic monofluoride AsF Arsenic monofluoride AsF Arsenic monofluoride
C∞v AsP Arsenic monophosphide
C∞v AsS Arsenic monosulfide
C∞v AsCl Arsenic monochloride
C∞v GaAs Gallium arsenide GaAs Gallium arsenide
C∞v CSe Carbon monoselenide CSe- Carbon monoselenide anion CSe+ Carbon monoselenide cation
C∞v NSe Nitrogen monoselenide
C∞v SeO Selenium monoxide SeO Selenium monoxide SeO- selenium monoxide anion SeO+ selenium monoxide cation
C∞v SeF Selenium monofluoride
C∞v PSe Phosphorus monoselenide
C∞v SeS Selenium monosulfide SeS- selenium monosulfide anion SeS+ selenium monosulfide cation
C∞v SeCl Selenium monochloride
C∞v AsSe Arsenic monoselenide
C∞v LiBr Lithium Bromide LiBr- lithium bromide cation LiBr+ lithium bromide anion
C∞v BBr Boron monobromide
C∞v CBr Carbon monobromide
C∞v NBr nitrogen monobromide
C∞v BrO Bromine monoxide BrO- Bromine monoxide anion
C∞v BrF Bromine monofluoride BrF- bromine fluoride anion BrF+ bromine fluoride cation
C∞v NaBr Sodium Bromide NaBr- sodium bromide anion NaBr+ sodium bromide cation
C∞v SiBr Silicon monobromide
C∞v BrCl Bromine monochloride BrCl- bromine chloride anion BrCl+ bromine chloride cation
C∞v CaBr Calcium monobromide
C∞v KBr Potassium Bromide
C∞v IF Iodine monofluoride
C∞v ICl Iodine monochloride
C∞v IBr Iodine monobromide
C∞v LiCN lithium cyanide LiCN lithium cyanide (conformer 3)
C∞v N3+ azide cation
C∞v HCCN cyanomethylene
C∞v CCO Dicarbon monoxide CCO Dicarbon monoxide
C∞v NCO isocyanato radical NCO- cyanate
C∞v CNO- fulminate
C∞v CO2+ Carbon dioxide cation
C∞v N2O Nitrous oxide N2O+ Nitrous oxide cation
C∞v HCCO ketenyl radical
C∞v HCNO fulminic acid
C∞v HNNO+ Nitrous oxide, N-protonated
C∞v FCN Cyanogen fluoride
C∞v CNF iso cyanogen fluoride
C∞v FCO+ Carbonyl fluoride cation
C∞v F3- trifluoride anion
C∞v HCCF Fluoroacetylene HCCF+ fluoroacetylene cation
C∞v NaCN Sodium Cyanide NaCN Sodium Cyanide (conformer 3)
C∞v OCS Carbonyl sulfide OCS+ Carbonyl sulfide cation
C∞v NNS Nitrogen sulfide
C∞v SCN thiocyanato radical SCN- thiocyanide anion
C∞v HNCS Isothiocyanic acid
C∞v ClCN chlorocyanogen
C∞v ClCO carbonyl monochloride
C∞v HCCCl Chloroacetylene
C∞v KCN Potassium cyanide KCN Potassium cyanide (conformer 2)
C∞v CuCN Copper cyanide CuCN Copper cyanide
C∞v ZnCN Zinc monocyanide
C∞v ZnNC Zinc isocyanide
C∞v OCSe Carbonyl selenide
C∞v BrCN Cyanogen bromide
C∞v HCCBr bromoacetylene
C∞v ICN Cyanogen iodide
C∞v C4H2 Diacetylene
C∞v HCCCN Cyanoacetylene HCCCN+ Cyanoacetylene cation
C∞v C3O Tricarbon monoxide
C1 CH3O Methoxy radical
C1 CH2OH Hydroxymethyl radical
C1 CH3OH+ Methyl alcohol cation
C1 HOSH hydrogen thioperoxide
C1 C3H7 n-Propyl radical
C1 NHCHNH2 aminomethanimine
C1 CH2CHNH2 aminoethene
C1 NH2NO Nitrosamide
C1 CHONH2 formamide
C1 CNOH3 1,2-oxaziridine
C1 H2OH2CO water formaldehyde dimer
C1 CH3OOH Methyl peroxide
C1 CH3CHOH 1-hydroxy-ethyl radical
C1 CH2CH2OH 2-hydroxy ethyl radical
C1 CH3OCH2 methoxymethyl radical
C1 NH2CH2OH aminomethanol
C1 H2OCH3OH water methanol dimer
C1 CH3CH2SH ethanethiol
C1 HOClO Chlorous acid
C1 CHClCH3 1-chloroethyl radical
C1 C4H6 1-Methylcyclopropene
C1 CH2CHCH2CH3 1-Butene
C1 CH3CHCH2CH3 2-Butyl radical
C1 CH3NHN2+ methyl azide, protonated
C1 CH5N3 Guanidine
C1 NH2COOH Carbamic acid
C1 HCOOHH2O Formic acid water dimer
C1 H2OHCOOH Water formic acid dimer 1
C1 H2OHCOOH Water formic acid dimer 2
C1 HOCH2OOH hydroxy methyl peroxide
C1 CH3CONH2 Acetamide
C1 C3H6O Propylene oxide
C1 C3H6O 2-Propen-1-ol
C1 C3H5OH Cyclopropanol
C1 CH3COHCH3+ acetone, protonated
C1 HOCH2CH2NH2 monoethanolamine HOCH2CH2NH2 monoethanolamine (conformer 3)
C1 CH3CHOHCH3 Isopropyl alcohol
C1 H2OCH3OCH3 water dimethylether dimer
C1 C3H6S Thiirane, methyl-
C1 HClO3 Chloric Acid
C1 CH2ClCHO chloroacetaldehyde
C1 CH2FCH2Cl Ethane, 1-chloro-2-fluoro-
C1 CH3CHFCl Ethane, 1-chloro-1-fluoro-
C1 CH2ClCH2OH2+ 2-chloroethanol, protonated
C1 CH2ClCH2CH3 Propane, 1-chloro-
C1 CHFClBr fluorochlorobromomethane
C1 C5H8 1,2-Pentadiene
C1 CH2CHCH2CH2CH3 1-pentene CH2CHCH2CH2CH3 1-pentene (conformer 2)
C1 C5H10 Cyclopentane
C1 C5H10 1-Butene, 2-methyl-
C1 C5H10 2-Pentene, (Z)-
C1 C5H11 2-Methylbut-2-yl radical
C1 C5H12 Butane, 2-methyl-
C1 C3H10N2 1,2-Diaminopropane
C1 C(CH3)3NH2 2-Propanamine, 2-methyl-
C1 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl-
C1 C(NH2)H2CH2CH2CH3 1-Butanamine
C1 CH3C(NH2)HCH2CH3 2-Butanamine
C1 HOONO2 peroxy nitric acid
C1 C3H4O2 propanedial
C1 HOCH2COOH Hydroxyacetic acid
C1 CH2CHCONH2 Acrylamide
C1 CH3OCH2CN Methoxyacetonitrile
C1 CH2CHOCHCH2 Vinyl ether
C1 C4H6O Furan, 2,3-dihydro-
C1 C2H6N2O Urea, methyl-
C1 C3H6O2 1,3-Dioxolane
C1 C3H7NO dimethylformamide
C1 C3H7NO Propanamide
C1 CH3COCH2CH3 2-Butanone
C1 C2H3OC2H5 Ethene, ethoxy-
C1 CH2C(CH3)OCH3 1-Propene, 2-methoxy-
C1 C3H8O2 Propylene glycol
C1 C3H8O2 1,3-Propanediol C3H8O2 1,3-Propanediol (conformer 2)
C1 C3H8O2 Hydroperoxide, 1-methylethyl
C1 C4H10O 1-Butanol C4H10O+ 1-Butanol cation
C1 C4H10O Ethanol, 1,1-dimethyl-
C1 C4H10O 1-Propanol, 2-methyl-
C1 C4H10O Methyl propyl ether
C1 C4H10O Propane, 2-methoxy-
C1 C4H10O 2-Butanol, (.+/-.)-
C1 HSO3F Fluorosulfonic acid
C1 CH5N3S Hydrazinecarbothioamide
C1 C4H6S Thiophene, 2,3-dihydro-
C1 C4H8S Thiophene, tetrahydro-
C1 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl-
C1 CH3CH(SH)CH2CH3 2-Butanethiol
C1 CH3C(SCH3)HCH3 Propane, 2-(methylthio)-
C1 CHCl2CHO dichloroacetaldehyde
C1 CH2ClCHCl2 1,1,2-trichloroethane
C1 C3H5ClO Oxirane, (chloromethyl)-
C1 CH2ClCHClCH3 Propane, 1,2-dichloro-
C1 CH2CHCHClCH3 1-Butene, 3-chloro-
C1 CH2ClCHCHCH3 2-Butene, 1-chloro-
C1 CH2CHCH2CH2Cl 1-Butene, 4-chloro-
C1 CHClCHCH2CH3 (E)-1-Chloro-1-butene
C1 CH3CHClCH2CH3 Butane, 2-chloro-
C1 C6H8 Bicyclo[3.1.0]hex-2-ene
C1 C6H8 3-Methylenecyclopentene
C1 C6H10 Cyclopentene, 1-methyl-
C1 C6H10 Cyclopentene, 3-methyl-
C1 C6H10 Cyclopentene, 4-methyl-
C1 C6H10 1,4-Hexadiene, (Z)-
C1 C6H10 1,4-Hexadiene, (E)-
C1 C6H12 Cyclopentane, methyl-
C1 C6H12 hex-1-ene
C1 C6H12 (E)-3-methylpent-2-ene
C1 C6H12 3-methylenepentane
C1 C6H12 (Z)-3-methylpent-2-ene
C1 C6H12 (E)-2-Hexene C6H12 (E)-2-Hexene (conformer 2)
C1 C6H12 Ethylcyclobutane
C1 C6H12 (Z)-hex-2-ene
C1 C6H12 cis-1,2-dimethylcyclobutane
C1 C6H14 Butane, 2,2-dimethyl-
C1 C6H14 Pentane, 2-methyl-
C1 CH3N5 5-Aminotetrazole
C1 C2H4N4 2H-Tetrazole, 2-methyl-
C1 C4H6N2 1H-Imidazole, 2-methyl-
C1 C5H7N 1H-Pyrrole, 1-methyl-
C1 C5H7N (E)-3-Pentenenitrile
C1 C5H7N (Z)-2-Pentenenitrile
C1 C5H9N 1,2,3,6-Tetrahydropyridine
C1 C5H9N Butanenitrile, 2-methyl-
C1 C4H12N2 1,2-Butanediamine
C1 C4H4O2 2-Oxetanone, 4-methylene-
C1 C4H5NO Isoxazole, 5-methyl-
C1 C4H5NO 3-Methylisoxazole
C1 C2H5NO3 Nitric acid, ethyl ester
C1 C5H6O 2-methylfuran
C1 C4H6O2 2-Propenoic acid, methyl ester
C1 C4H6O2 γ–Butyrolactone
C1 C2H6N2O2 Dimethylnitroamine
C1 C4H7NO Methacrylamide
C1 C4H7NO 2-Pyrrolidinone
C1 NH2COOC2H5 Urethane
C1 CH3CH(NH2)COOH Alanine
C1 NH2CH2CH2COOH β–alanine
C1 CH3NHCH2COOH Sarcosine
C1 CH3CH(CH3)ONO Isopropyl nitrite
C1 C3H7ONO Propyl nitrite
C1 C5H8O 2H-Pyran, 3,4-dihydro-
C1 C5H8O Furan, 2,3-dihydro-5-methyl-
C1 C4H8O2 Butanoic acid
C1 C4H8O2 1,3-Dioxolane, 2-methyl-
C1 C4H8O2 1,3-Dioxane
C1 N(CH3)2CONH2 Urea, N,N-dimethyl-
C1 NH2CONHC2H5 Urea, ethyl-
C1 C3H8O3 1,2,3-Propanetriol
C1 C4H9NO Butanamide
C1 C4H9NO Propanamide, 2-methyl-
C1 C5H10O 2-methylbutyraldehyde
C1 C5H10O Cyclopentanol
C1 C5H10O 2-Pentanone
C1 C5H10O 2-Butanone, 3-methyl-
C1 C4H10O2 1,3-Butanediol
C1 C5H12O 1-Butanol, 2-methyl-
C1 C5H12O 3-Pentanol
C1 C5H12O 2-Butanol, 3-methyl-
C1 C5H12O 2-Pentanol
C1 C3H4S3 1,3-Dithiolane-2-thione
C1 C4H5NS 4-Methylthiazole
C1 C4H6OS Dihydro-3-(2H)-thiophenone
C1 C4H6OS Dihydro-2-(3H)-thiophenone
C1 C4H6OS 4,5-dihydrothiophene-3-ol
C1 C4H6OS 2,5-dihydrothiophene-3-ol
C1 C4H6OS 4,5-dihydrothiophene-2-ol
C1 C4H6OS 2,3-dihydrothiophene-2-ol
C1 CH6N4S Carbonothioic dihydrazide
C1 C2H6O3S Sulfurous acid, dimethyl ester
C1 C3H6S3 Carbonotrithioic acid, dimethyl ester
C1 C4H8OS s-Ethyl thioacetate
C1 C3H8O2S (Methylsulfonyl)ethane
C1 C5H10S Cyclopentanethiol
C1 C5H10S Thiophene, tetrahydro-2-methyl-
C1 C5H10S Thiophene, tetrahydro-3-methyl-
C1 C4H10OS Diethyl sulfoxide
C1 C5H12S 2-Butanethiol, 2-methyl-
C1 C5H12S 1-Butanethiol, 2-methyl-
C1 C5H12S 2-Butanethiol, 3-methyl-
C1 B2Cl4 Diboron tetrachloride
C1 C3H5ClO2 Carbonochloridic acid, ethyl ester
C1 C4H8Cl2 Butane, 1,2-dichloro-
C1 C4H8Cl2 Butane, 1,3-dichloro-
C1 C7H16 3-methylhexane
C1 C7H16 2-methylhexane
C1 C6H13N cyclohexanamine
C1 C6H13N 2-Methylpiperidine
C1 C5H5NO 2(3H)-Pyridinone
C1 C6H12O Oxepane
C1 CF3CHFCl 1,1,1,2-tetrafluorochloroethane
C1 C5H9NO2 Proline
C1 C6H12O2 Methyl pivalate
C1 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro-
C1 CH3COC6H5 acetophenone
C2 C2H7+ Ethane, protonated
C2 N2H4 Hydrazine
C2 H2O2 Hydrogen peroxide
C2 H5O2+ Dihydroxonium ion
C2 P2H4 H2PPH2
C2 H2S2 Disulfane
C2 C3H7+ Isopropyl cation
C2 HNCNH diiminomethane
C2 NH2CH2NH2 diaminomethane
C2 Be(OH)2 Beryllium hydroxide
C2 H2O3 Hydrogen trioxide
C2 CH2(OH)2 methanediol
C2 Mg(OH)2 Magnesium dihydroxide
C2 HSSSH trisulfane
C2 CH2CHCHCH2 1,3-Butadiene
C2 CH3CH2CH2CH3 Butane
C2 NH2CCNH2 Diaminoacetylene
C2 CH3NNCH3 (Z)-1,2-Dimethyldiazene
C2 CH3NHNHCH3 dimethyl hydrazine
C2 ONNO NO dimer
C2 NH2CONH2 Urea
C2 CH3COCH3 Acetone
C2 CH3OOCH3 dimethylperoxide
C2 FOOF Perfluoroperoxide
C2 C2H4F2 1,2-difluoroethane
C2 FSSF Difluorodisulfane
C2 NH2CSNH2 Thiourea
C2 CH3SSCH3 Disulfide, dimethyl
C2 ClOOCl Dichlorine dioxide
C2 S2Cl2 Disulfur dichloride
C2 CH2ClCH2Cl Ethane, 1,2-dichloro-
C2 CH2BrCH2Br Ethane, 1,2-dibromo-
C2 C5H8 1,4-Pentadiene
C2 C5H8 2,3-Pentadiene
C2 HOCHCCHOH allenediol
C2 C2H4O3 trioxolane124
C2 C3H6O2 1,3-Dioxolane
C2 C4H8O Furan, tetrahydro-
C2 C3H8O2 Methane, dimethoxy-
C2 H2SO4 Sulfuric acid
C2 CH2CHSCHCH2 Divinyl sulfide
C2 CH3SSSCH3 dimethyl trisulfide
C2 H2SeO4 Selenic acid
C2 C6H8 1,3-Cyclohexadiene
C2 C6H10 cyclohexene
C2 C6H10 1,5-Hexadiene
C2 C6H10 3-Hexyne
C2 C6H12 Cyclohexane
C2 C6H12 (Z)-hex-3-ene
C2 C6H12 (1R,2R)-1,2-dimethylcyclobutane
C2 C2H4CO3 Ethylene carbonate
C2 C4H6O2 2,3-Butanedione
C2 C5H8O Cyclopentanone
C2 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl-
C2 C2H4N2S2 Ethanedithioamide
C2 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR
C2 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)-
C2 C7H14 cycloheptane
C2 N2O5 Dinitrogen pentoxide
C2 C5H8O2 Acetylacetone
C2 C3H7OC3H7 di-n-propyl ether
C2 CH3C6H4CH3 paraxylene
C2 (CH3)3CC(CH3)3 tetramethylbutane
C2 C4F6 perfluorobutadiene
C2 C12H10 Heptalene
C2 C14H14 Bibenzyl
C2 C6H5COC6H5 benzophenone
C2h HCCH- acetylene anion
C2h C2H4- Ethylene anion
C2h C2H6+ ethane cation
C2h N2H2 (E)-diazine N2H2+ trans-diazine cation
C2h N2H4+ hydrazine cation
C2h NH3NH3 Ammonia Dimer
C2h H2O2 Hydrogen peroxide H2O2+ Hydrogen peroxide cation
C2h H2S2+ hydrogen disulfide cation
C2h Mg(OH)2 Magnesium dihydroxide
C2h CH2CHCHCH2 1,3-Butadiene
C2h CH3CHCHCH3 2-Butene, (E)-
C2h CH3CH2CH2CH3 Butane
C2h CH3NNCH3 (E)-1,2-Dimethyldiazene
C2h C2H8N2 Ethylenediamine
C2h ONNO NO dimer
C2h C2H2O2 Ethanedial C2H2O2+ Ethanedial cation
C2h C2H6O2 1,2-Ethanediol
C2h CH3OOCH3 dimethylperoxide
C2h N2F2 Dinitrogen difluoride, (E)-
C2h C2H2F2 Ethene, 1,2-difluoro-, (E)-
C2h C2H4F2 1,2-difluoroethane
C2h CH2SHCH2SH 1,2-Ethanedithiol
C2h CHClCHCl Ethene, 1,2-dichloro-, (E)-
C2h CH2ClCH2Cl Ethane, 1,2-dichloro-
C2h CHBrCHBr Ethene, 1,2-dibromo-, (E)-
C2h CH2BrCH2Br Ethane, 1,2-dibromo-
C2h C6H4 (E)-Hexa-1,5-diyne-3-ene
C2h C6H6 Hexa-1,5-diene-3-yne
C2h C6H6 1,2,4,5-Hexatetraene
C2h C6H8 (E)-hexa-1,3,5-triene
C2h C6H8 (E)-hexa-2,3,4-triene
C2h C6H10 2,4-Hexadiene, (E,E)-
C2h C6H12 (1r,3r)-1,3-dimethylcyclobutane
C2h C6H14 Butane, 2,3-dimethyl-
C2h C6H14 Hexane
C2h C4H2N2 Fumaronitrile
C2h C4H4N2 Succinonitrile
C2h C2H2O4 Oxalic Acid
C2h C2H4N2O2 Oxalamide
C2h C2H4O4 Formic acid dimer
C2h C4H6O2 2,3-Butanedione
C2h C2H6N2O2 (E)-Azodioxymethane
C2h C4H8O2 1,4-Dioxane
C2h C4H10O2 1,4-Butanediol
C2h C4H10O2 Ethane, 1,2-dimethoxy-
C2h CHF2CHF2 1,1,2,2-tetrafluoroethane
C2h C2H4N2S2 Ethanedithioamide
C2h C4H10S2 1,4-Butanedithiol
C2h ClCOClCO Oxalyl chloride
C2h CFClCClF trans-1,2-dichloro-1,2-difluoroethylene
C2h C4H8Cl2 1,4-Dichlorobutane
C2h C8H6 Pentalene
C2h CH3C6H4CH3 paraxylene
C2h C8H18 Octane
C2h C4F4 tetrafluorcyclobutadiene C4F4 tetrafluorcyclobutadiene (conformer 2)
C2h CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane
C2h C10H22 Decane
C2h C4F6 perfluorobutadiene
C2h C12H10N2 azobenzene
C2v BH2 boron dihydride BH2- boron dihydride anion BH2- boron dihydride anion
C2v BH3 boron trihydride BH3+ boron trihydride cation (conformer 2) BH3+ boron trihydride cation (conformer 3)
C2v BH4 borohydride
C2v CH2 Methylene CH2 Methylene CH2- methylene anion CH2+ methylene cation
C2v CH4+ Methane cation
C2v CH2D2 methane-d2
C2v NH2 Amino radical NH2- amino anion NH2+ Amino cation
C2v ND2 Amidogen-d2
C2v H2O Water H2O- water anion H2O+ water cation
C2v D2O Deuterium oxide
C2v H2F+ dihydrogen fluoride cation
C2v AlH2 aluminum dihydride AlH2- aluminum dihydride anion
C2v AlH3+ aluminum trihydride cation
C2v SiH2 silicon dihydride SiH2 silicon dihydride SiH2- silicon dihydride anion SiH2+ silicon dihydride cation
C2v SiH4+ Silane cation
C2v PH2 Phosphino radical PH2- Phosphino anion PH2+ Phosphino cation
C2v H2S Hydrogen sulfide H2S- Hydrogen sulfide anion H2S+ Hydrogen sulfide cation
C2v D2S Hydrogen sulfide-d2
C2v H2Cl+ dihydrogen monochloride cation
C2v CaH2 Calcium Hydride
C2v ZnH2 Zinc hydride
C2v GeH2 germylene GeH2- germylene anion
C2v AsH2 Arsenic dihydride AsH2+ Arsenic dihydride cation
C2v H2Se Hydrogen selenide H2Se+ Hydrogen selenide cation
C2v H2Br+ protonated hydrogen bromide
C2v HBHHBH Diborane(4) C2V
C2v CCH2 vinylidene CCH2 vinylidene H2CC- vinylidene anion
C2v CH2BH methyleneborane
C2v C2H3+ vinyl cation C2H3+ vinyl cation (conformer 2)
C2v C2H5+ Ethyl cation
C2v H2CN H2CN H2CN+ hydrocyanonium cation
C2v N2H2 (Z)-Diazene
C2v CH2NH2+ methyleneamine cation
C2v H2CO Formaldehyde H2CO+ formaldehyde cation
C2v H2NO nitroxide
C2v H2O2+ Hydrogen peroxide cation
C2v CH2SiH2 silaethylene
C2v H2CS Thioformaldehyde H2CS- thioformaldehyde anion H2CS+ thioformaldehyde cation
C2v ZnCH2 Zinc methylene ZnCH2 Zinc methylene
C2v CH2Cl chloromethyl radical
C2v Li3 Lithium trimer
C2v C3 carbon trimer C3+ carbon trimer cation (conformer 2)
C2v C3H3 Propargyl radical C3H3- Propargyl anion (conformer 2) C3H3+ Propargyl cation
C2v C3H4 cyclopropene
C2v C3H5 Allyl radical C3H5+ Allyl cation
C2v C3H8 Propane
C2v CN2 3H-Diazirin-3-ylidene
C2v CH2NN diazirine
C2v CH2NN diazomethane
C2v NH2CN cyanamide
C2v C2H5NH+ Protonated Aziridine
C2v C2H6N+ aziridine, protonated
C2v NH2CH2NH2 diaminomethane
C2v (CH3)2NH2+ dimethylammonium cation
C2v CO2- Carbon dioxide anion
C2v NO2 Nitrogen dioxide NO2- Nitrogen dioxide anion
C2v O3 Ozone O3- Ozone anion O3+ Ozone cation
C2v HCO2- formate anion
C2v C2H2O Oxirene
C2v CH2CO Ketene CH2CO+ Ketene cation
C2v Be(OH)2 Beryllium hydroxide
C2v CH2O2 Dioxirane
C2v C2H4O Ethylene oxide
C2v CH3OCH3 Dimethyl ether
C2v BF2 Boron difluoride radical
C2v CF2 Difluoromethylene CF2 Difluoromethylene CF2- Difluoromethylene anion CF2+ Difluoromethylene cation
C2v NF2 Difluoroamino radical NF2+ Difluoroamino cation
C2v F2O Difluorine monoxide
C2v BHF2 Difluoroborane
C2v CH2F2 Methane, difluoro-
C2v Na2O disodium monoxide
C2v SiF2 Silicon difluoride SiF2 Silicon difluoride SiF2+ Silicon difluoride cation
C2v SiH2(CH3)2 dimethylsilane
C2v Si3H8 trisilane
C2v PO2 Phosphorus dioxide PO2- Phosphorus dioxide anion
C2v Li2S dilithium sulfide
C2v SO2 Sulfur dioxide SO2- Sulfur dioxide anion SO2+ Sulfur dioxide cation
C2v SF2 sulfur difluoride SF2+ sulfur difluoride cation
C2v CS2- Carbon disulfide anion
C2v S3 Sulfur trimer S3- Sulfur trimer anion S3+ Sulfur trimer cation
C2v C2H4S Thiirane
C2v CH3SCH3 Dimethyl sulfide
C2v OClO Chlorine dioxide OClO- Chlorine dioxide anion OClO+ Chlorine dioxide cation
C2v CCl2 dichloromethylene CCl2- dichloromethylene anion CCl2+ dichloromethylene cation
C2v Cl2O Dichlorine monoxide
C2v SiCl2 Dichlorosilylene
C2v SCl2 Sulfur dichloride
C2v BHCl2 Borane, dichloro-
C2v CHCl2 dichloromethyl radical
C2v CH2Cl2 Methylene chloride
C2v SiH2Cl2 dichlorosilane
C2v CaF2 Calcium difluoride
C2v TiO2 Titanium dioxide
C2v CuF2 Copper difluoride
C2v ZnF2 Zinc difluoride
C2v ZnCl2 Zinc dichloride
C2v Zn(CH3)2 dimethyl zinc
C2v GeF2 Germanium difluoride
C2v GeCl2 Germanium dichloride
C2v AsO2 Aresenic dioxide
C2v SeO2 Selenium dioxide SeO2+ Selenium dioxide cation
C2v CH3SeCH3 dimethylselenide
C2v CBr2 dibromomethylene CBr2 dibromomethylene
C2v BrOBr Bromine oxide
C2v CH2Br2 dibromomethane
C2v B4H10 Tetraborane(10)
C2v C4H6 Bicyclo[1.1.0]butane
C2v C4H6 Cyclobutene
C2v C4H6 Methylenecyclopropane
C2v CH2C(CH3)CH3 1-Propene, 2-methyl-
C2v CH3CHCHCH3 2-Butene, (Z)-
C2v CH3NNCH3 (Z)-1,2-Dimethyldiazene
C2v CO3 Carbon trioxide
C2v ONNO NO dimer
C2v NO3 Nitrogen trioxide NO3 Nitrogen trioxide (conformer 3) NO3+ nitrogen trioxide cation
C2v NH2NO2 nitramide
C2v H2CO3 Carbonic acid
C2v H2NO3+ Nitric Acid, Protonated
C2v C3H4O Cyclopropanone
C2v NH2CONH2 Urea NH2CONH2+ Urea cation
C2v C2H4O2 1,3-dioxetane
C2v CH3COCH3 Acetone
C2v C3H6O Oxetane
C2v CF2O Carbonic difluoride
C2v BF3+ boron trifluoride cation
C2v FNO2 Nitryl fluoride
C2v N2F2 (Z)-Difluorodiazene
C2v CH2CF2 Ethene, 1,1-difluoro-
C2v C2H2F2 Ethene, 1,2-difluoro-, (Z)-
C2v SF3 Sulfur trifluoride
C2v CH3CSCH3 Thioacetone
C2v ClNO2 Nitryl chloride
C2v ClF3 Chlorine trifluoride
C2v CCl2O Phosgene
C2v AlF2Cl Aluminum chloride difluoride
C2v Cl2CS Thiophosgene
C2v AlFCl2 Aluminum dichloride fluoride
C2v CH2CCl2 Ethene, 1,1-dichloro-
C2v CHClCHCl Ethene, 1,2-dichloro-, (Z)-
C2v SeO3 selenium trioxide
C2v BrF3 Bromine trifluoride
C2v COBr2 Carbonic dibromide
C2v CHBrCHBr Ethene, 1,2-dibromo-, (Z)-
C2v C5H5 cyclopentadienyl radical
C2v C5H6 1,3-Cyclopentadiene
C2v C5H7 cyclopentenyl radical
C2v C5H7 1,3-pentadienyl radical
C2v C5H8 1,2-Butadiene, 3-methyl-
C2v C5H10 Cyclopropane, 1,1-dimethyl-
C2v C5H12 Pentane
C2v C3H2N2 Malononitrile
C2v C3H3N2 imidazolyl radical C3H3N2- imidizolyl anion
C2v C4H4N pyrrolide radical C4H4N- pyrrolide anion
C2v C3H4N2 2H-Imidazole
C2v C4H5N Pyrrole
C2v C4H6N+ pyrrole, protonated
C2v C3O2 Carbon suboxide
C2v BeCO3 Beryllium Carbonate
C2v ONONO Nitrosyl nitrite
C2v C4H4O Furan C4H4O+ Furan cation
C2v CH2CHOCHCH2 Vinyl ether
C2v C4H6O Cyclobutanone
C2v C4H6O Furan, 2,5-dihydro-
C2v C3H8O2 Methane, dimethoxy-
C2v C4H10O Ethoxy ethane
C2v MgCO3 Magnesium Carbonate
C2v SO2F2 Sulfuryl fluoride
C2v SF4 Sulfur tetrafluoride
C2v C4H4S Thiophene
C2v C4H6S Thiophene, 2,5-dihydro-
C2v C2H6O2S Dimethyl sulfone
C2v C3H8S2 1,3-Propanedithiol
C2v C2H5SC2H5 Diethyl sulfide
C2v CF2Cl2 difluorodichloromethane
C2v SO2Cl2 Sulfuryl chloride
C2v CCl4+ Carbon tetrachloride cation
C2v CH3CCl2CH3 Propane, 2,2-dichloro-
C2v SiCl2(CH3)2 dichlorodimethylsilane
C2v CaCO3 Calcium Carbonate
C2v CBr2F2 Methane, dibromodifluoro-
C2v CBr2Cl2 dibromodichloromethane
C2v C6H4 Benzyne
C2v C6H4 (Z)-Hexa-1,5-diyne-3-ene
C2v C6H5 phenyl C6H5- phenyl anion
C2v C6H6 Fulvene
C2v C6H6 Benzvalene
C2v C6H7+ benzene, protonated
C2v C6H8 Bicyclo[2.1.1]hex-2-ene
C2v C6H8 (Z)-hexa-1,3,5-triene
C2v C6H8 (Z)-hexa-2,3,4-triene
C2v C6H10 3-Hexyne
C2v C6H12 cis-1,3-dimethylcyclobutane
C2v C4H6(CH3)2 1,1-dimethylcyclobutane
C2v C4H4N2 Pyridazine
C2v C4H4N2 1,3-Diazine
C2v C5H5N Pyridine
C2v C5H6N+ Pyridinium
C2v Li2CO3 Lithium Carbonate
C2v C2H4CO3 Ethylene carbonate
C2v C4H8O2 Ethene, 1,1-dimethoxy-
C2v C5H10O 3-Pentanone
C2v Na2CO3 Sodium Carbonate
C2v MgSO4 Magnesium Sulfate
C2v CF2CCl2 difluorodichloroethylene
C2v CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene
C2v SOF4 Sulfur tetrafluoride oxide
C2v C6H5CH2 benzyl radical
C2v C7H7 cycloheptatrienyl radical
C2v C7H8 Norbornadiene
C2v C7H12 Norbornane
C2v C7H16 heptane
C2v C4H2O3 Maleic Anhydride
C2v C5H4O2 4-Cyclopentene-1,3-dione
C2v C6H5O phenoxy radical
C2v C5H5NO 4(1H)-Pryidinone
C2v C6H6O 2,5-Cyclohexadienone
C2v C3H7OC3H7 di-n-propyl ether
C2v C6H5F Fluorobenzene
C2v PF6 Hexafluorophosphate neutral
C2v C6H5Cl chlorobenzene
C2v C6H5Br bromobenzene
C2v C6H5CCH phenylacetylene
C2v C8H6 benzocyclobutadiene
C2v C8H6 Calicene
C2v CH3C6H4CH3 paraxylene
C2v C6H5CN phenyl cyanide
C2v C6H4F2 orthodifluorobenzene
C2v C6H4F2 metadifluorobenzene
C2v C6H4Cl2 1,2-dichlorobenzene
C2v C6H4Cl2 1,3-dichlorobenzene
C2v C9H20 Nonane
C2v C6H5NO2 Nitrobenzene
C2v C6H3F3 Benzene trifluoride 123
C2v C10H8 Azulene
C2v C3F8 perfluoropropane
C2v C12H8 Acenaphthylene
C2v C14H10 Phenanthrene
C2v C6H5COC6H5 benzophenone
C3 H3PO4 Phosphoric Acid
C3 C6H15N triethylamine
C3 C19H16 Triphenylmethane
C3h H3BO3 Boric acid
C3h H3CO3+ carbonic acid, protonated
C3h Al(CH3)3 trimethyl aluminum
C3v BH3- boron trihydride anion
C3v CH3- methyl anion
C3v CH4- Methane anion
C3v CH3D methane-d
C3v CHD3 methane-d3
C3v NH3 Ammonia NH3- Ammonia anion
C3v ND3 Ammonia-d3
C3v H3O+ hydronium cation
C3v AlH3- aluminum trihydride anion
C3v SiH3 Silyl radical SiH3- Silyl anion
C3v PH3 Phosphine PH3+ Phosphine cation
C3v H3S+ Sulfonium cation
C3v ScH3 Scandium trihydride
C3v GeH3 Germyl radical
C3v AsH3 Arsine AsH3+ Arsine cation
C3v H3Se+ Hydrogen Selenide, protonated
C3v LiBH4 Lithium borohydride
C3v CH3Li methyl lithium
C3v BH3NH3 borane ammonia
C3v CH3NH3 methyl ammonium radical CH3NH3+ protonated methylamine
C3v CH3O- methoxy anion CH3O+ Methoxy cation
C3v NH3O Ammonia Oxide
C3v CD3F methylfluoride-d3
C3v CH3F Methyl fluoride
C3v SiH3F monofluorosilane
C3v CH3SiH3 methyl silane
C3v H3PO Phosphine oxide
C3v CH3PH3+ methyl phosphine, protonated
C3v CH3S thiomethoxy
C3v NH3S sulfidoazane
C3v CH3Cl Methyl chloride
C3v CD3Cl methyl chloride d3
C3v SiH3Cl chlorosilane
C3v CuCH3 monomethyl copper
C3v ZnCH3 Zinc monomethyl
C3v GeH3CH3 methyl germane
C3v CH3Br methyl bromide
C3v SiH3Br bromosilane
C3v CH3I methyl iodide
C3v CH3CCH propyne
C3v CH3CN Acetonitrile CH3CN- acetonitrile anion CH3CN+ Acetonitrile cation
C3v CH3NC methyl isocyanide
C3v NCNH3+ Cyanamide, protonated
C3v BH3CO Borane carbonyl
C3v CH3BO Borane, methyloxo-
C3v CH3CO+ acetyl cation
C3v NaOCH3 Sodium methoxide
C3v C(CH3)3 Tert-butyl radical
C3v CH3CH(CH3)CH3 Isobutane
C3v Li3N trilithium nitride
C3v N(CH3)3 Trimethylamine
C3v (CH3)3NH+ protonated trimethyl amine
C3v BF3- Borane, trifluoro- anion
C3v CF3 Trifluoromethyl radical CF3- Trifluoromethyl anion
C3v NF3 Nitrogen trifluoride NF3- Nitrogen trifluoride anion NF3+ Nitrogen trifluoride cation
C3v CHF3 Methane, trifluoro-
C3v NF3H+ protonated nitrogen trifluoride
C3v SiF3 Silicon trifluoride radical
C3v SiH(CH3)3 trimethylsilane
C3v PF3 Phosphorus trifluoride
C3v P(CH3)3 trimethylphosphine
C3v ClO3- chlorate anion
C3v CCl3 Trichloromethyl radical CCl3- Trichloromethyl anion
C3v NCl3 nitrogen trichloride
C3v SiCl3 trichlorosilyl radical
C3v PCl3 Phosphorus trichloride
C3v CHCl3 Chloroform
C3v CDCl3 trichloromethane-d
C3v SiHCl3 Trichlorosilane
C3v AsF3 Arsenic trifluoride
C3v AsCl3 Arsenous trichloride
C3v AsF3H+ Arsenic trifluoride, protonated
C3v As(CH3)3 trimethyl arsine
C3v NBr3 Nitrogen Tribromide
C3v PBr3 Phosphorus tribromide
C3v CHBr3 bromoform
C3v F3NO Nitrogen trifluoride oxide
C3v CH3CF3 Ethane, 1,1,1-trifluoro-
C3v NH3BF3 Amminetrifluoroboron
C3v SiH3CCl3 (trichloromethyl)silane
C3v F3PO Phosphoryl fluoride
C3v CF3Cl Methane, chlorotrifluoro-
C3v ClFO3 Perchloryl fluoride
C3v CFCl3 Trichloromonofluoromethane
C3v Cl3PO Phosphoryl chloride
C3v CH3CCl3 Ethane, 1,1,1-trichloro-
C3v SiCl3CH3 methyltrichlorosilane
C3v CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl-
C3v CF3Br Bromotrifluoromethane
C3v CBrCl3 Methane, bromotrichloro-
C3v CFBr3 fluorotribromomethane
C3v CBr3Cl tribromochloromethane
C3v CH3CBr3 1,1,1-tribromoethane
C3v CF3I trifluoroiodomethane
C3v C6H10 1-Butyne, 3,3-dimethyl-
C3v C5H9N Propanenitrile, 2,2-dimethyl-
C3v C3H6O3 1,3,5-Trioxane
C3v CF3CN Acetonitrile, trifluoro-
C3v C3H6S3 1,3,5-Trithiane
C4v SF5 Sulfur pentafluoride
C4v ClF5 chlorinepentafluoride
C4v BrF5 bromine pentafluoride
C4v SF5Cl sulfur chloropentafluoride
C4v Fe(CO)5 Iron pentacarbonyl
Ci C2H6+ ethane cation
Ci C6H12 (E)-hex-3-ene
Ci C4H6O2 2,3-Butanedione
Ci C2H6N2O2 (E)-Azodioxymethane
Ci CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro-
Ci C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)-
Cs H2O- water anion
Cs HDO Water-d1
Cs H2S- Hydrogen sulfide anion
Cs C2H+ Ethynyl cation C2H+ Ethynyl cation (conformer 2)
Cs HCCH- acetylene anion
Cs C2H3 vinyl C2H3- vinyl anion
Cs CH3CH methylmethylene
Cs CH3BH2 methylborane
Cs C2H5 Ethyl radical C2H5- Ethyl anion C2H5+ Ethyl cation (conformer 2)
Cs HCN- Hydrogen cyanide anion
Cs NNH Dinitrogen monohydride
Cs HCNH HCNH HCNH HCNH (conformer 2)
Cs CH2NH Methanimine
Cs CH3NH2 methyl amine CH3NH2+ methyl amine cation
Cs N2H5+ protonated hydrazine
Cs NH3NH3 Ammonia Dimer
Cs BeOH beryllium hydroxide
Cs HCO Formyl radical HCO- formyl anion
Cs HNO Nitrosyl hydride HNO- Nitrosyl hydride anion HNO+ Nitrosyl hydride cation
Cs NOH NOH NOH+ nitric oxide O-protonated
Cs HO2 Hydroperoxy radical HO2- Hydroperoxy anion HO2+ Hydroperoxy cation HO2+ Hydroperoxy cation
Cs H2CO- formaldehyde anion
Cs HOCH hydroxycarbene HOCH hydroxycarbene (conformer 2)
Cs H2NO nitroxide
Cs CH2OH+ hydroxymethyl cation
Cs NH2OH hydroxylamine
Cs H3O2+ hydrogen peroxide, protonated
Cs CH3OH Methyl alcohol CH3OH- Methyl alcohol anion CH3OH- Methyl alcohol anion (conformer 2) CH3OH+ Methyl alcohol cation
Cs H2OH2O water dimer
Cs CH3OH2+ Methanol, protonated
Cs H2ONH3 Water Ammonia Dimer
Cs HCF Fluoromethylene HCF Fluoromethylene
Cs HOF Hypofluorous acid
Cs F2H+ Fluorine, protonated
Cs CH2F fluoromethyl radical
Cs NH2F monofluoroamine
Cs H2F2 Hydrogen fluoride dimer
Cs HPO HPO HPO+ HPO cation
Cs H2POH Phosphinous acid H2POH Phosphinous acid (conformer 2)
Cs CH3PH2 Methyl phosphine
Cs HCS Thioformyl radical HCS- Thioformyl anion HCS- Thioformyl anion
Cs HS2 Thiosulfeno radical
Cs H2CS- thioformaldehyde anion
Cs H2CSH+ Thioformaldehyde, protonated
Cs NH2SH Thiohydroxylamine
Cs CH3SH Methanethiol CH3SH+ Methanethiol cation
Cs CH3SH2+ protonated methylsulfide
Cs HCCl Chloromethylene HCCl Chloromethylene
Cs HOCl hypochlorous acid
Cs DOCl Hypochlorous acid-d
Cs Cl2H+ Chlorine, protonated
Cs NH2Cl chloramine
Cs CH3ClH+ methyl chloride, protonated
Cs ZnCH2 Zinc methylene
Cs CH3SeH Methane selenol
Cs CHBr bromomethylene CHBr bromomethylene
Cs HOBr Hypobromous acid HOBr+ Hypobromous acid cation
Cs CH2Cl chloromethyl radical
Cs CH2Br bromomethyl radical
Cs C3H3- Propargyl anion
Cs C3H3 cyclopropenyl radical
Cs C3H5 Allyl radical
Cs CH3CHCH 1-propenyl radical
Cs CH2CHCH3 Propene
Cs C3H7 Isopropyl radical
Cs C3H7+ cyclopropane, protonated
Cs LiCN lithium cyanide
Cs HCCN cyanomethylene
Cs HN3 hydrogen azide
Cs NH2CN cyanamide
Cs CH3CN- acetonitrile anion CH3CN+ Acetonitrile cation (conformer 2)
Cs CHNCH2 2H-Azirine
Cs CHNHCH 1H-Azirine
Cs H2CCNH Ethenimine
Cs HCCNH2 Ethynamine
Cs H2CNCH methyleneaminomethylene
Cs HNCNH2+ diiminomethane, protonated
Cs CH3CHN methylmethaniminyl radical
Cs CH2CHNH vinylazine CH2CHNH vinylazine (conformer 2)
Cs C2H5N Aziridine
Cs CH2NCH3 N-methylmethanimine
Cs CH3CHNH ethanimine CH3CHNH ethanimine (conformer 2)
Cs CH3CH2NH2 Ethylamine
Cs CH3NHCH3 Dimethylamine
Cs CH3CH2NH3+ ethylamine, protonated
Cs N2O- Nitrous oxide anion
Cs O3- Ozone anion
Cs HCCO ketenyl radical
Cs HNCO Isocyanic acid
Cs HOCN cyanic acid
Cs HCNO fulminic acid
Cs HOCO Hydrocarboxyl radical HOCO Hydrocarboxyl radical (conformer 2) HOCO+ Hydrocarboxyl cation
Cs HCOO formate neutral radical
Cs NNOH+ Nitrous Oxide, O-protonated
Cs HNNO nitrosoazane HNNO+ Nitrous oxide, N-protonated
Cs HNO2 Nitrous acid HNO2+ nitrous acid cation
Cs O3H+ protonated ozone
Cs HCCOH ethynol
Cs HCOOH Formic acid
Cs H2COO dioxymethyl H2COO+ dioxymethyl cation
Cs CH2BOH hydroxy(methylene)borane
Cs CH3CO Acetyl radical CH3CO- Acetyl anion
Cs CH2CHO Vinyloxy radical
Cs CHONH2 formamide
Cs CH2NOH formaldoxime
Cs CH3NO nitrosomethane
Cs HOCHNH hydroxymethylimine HOCHNH hydroxymethylimine (conformer 2) HOCHNH hydroxymethylimine (conformer 3)
Cs CH3OO methylperoxy radical CH3OO- methylperoxy anion CH3OO- methylperoxy anion (conformer 2) CH3OO+ methylperoxy cation CH3OO+ methylperoxy cation (conformer 2)
Cs CH3CHO Acetaldehyde
Cs CH2CHOH ethenol
Cs H2CONH2+ protonated formamide
Cs CH3CH2O Ethoxy radical
Cs CH3CHOH+ acetaldehyde, protonated
Cs CH2CH2OH 2-hydroxy ethyl radical
Cs C2H4OH+ ethylene oxide, protonated
Cs CH3CH2OH Ethanol
Cs CH3OHH2O methanol water dimer
Cs FCO Carbonyl fluoride
Cs FNO Nitrosyl fluoride
Cs FO2 Dioxygen monofluoride
Cs HFCO formyl fluoride HFCO+ formyl fluoride cation
Cs CHF2 difluoromethyl radical
Cs CH2CHF Ethene, fluoro- CH2CHF+ fluoroethene cation
Cs C2H5F fluoroethane
Cs NaCN Sodium Cyanide
Cs CH3PHCH3 dimethylphosphine
Cs FNS Thionitrosyl fluoride
Cs FSN Thiazyl fluoride
Cs SF2- sulfur difluoride anion
Cs SSO Disulfur monoxide
Cs HSCN thiocyanic acid
Cs HNCS Isothiocyanic acid
Cs SO2H+ protonated sulfur dioxide
Cs HSSSH trisulfane
Cs CH2CHSH Ethenethiol
Cs CH3CHS Thioacetaldehyde
Cs CH3CH2SH ethanethiol
Cs FClO chlorosyl fluoride
Cs ClCO carbonyl monochloride
Cs CFCl chlorofluoromethylene
Cs ClNO Nitrosyl chloride
Cs ClOO chloroperoxy radical ClOO+ chloroperoxy cation
Cs ClOF Chlorine hypofluorite
Cs OPCl Phosphorus oxychloride
Cs ClSO Sulfur chloride oxide
Cs ClS2 Sulfur chloride
Cs COHCl Formyl chloride
Cs HOClO Chlorous acid
Cs CHCl2 dichloromethyl radical
Cs CH2FCl fluorochloromethane
Cs CH2CHCl Ethene, chloro-
Cs CH3OCl methyl hypochlorite
Cs CH2CH2Cl 2-chloroethyl radical
Cs CH3CH2Cl Ethyl chloride
Cs KCN Potassium cyanide
Cs CuCN Copper cyanide
Cs ZnCN Zinc monocyanide
Cs BrNO Nitrosyl bromide
Cs BrOCl BrOCl
Cs CH2BrF Methane, bromofluoro-
Cs C2H3Br vinyl bromide
Cs C2H5Br Ethyl bromide
Cs INO Nitrosyl iodide
Cs C2H3CCH 1-Buten-3-yne
Cs CHCCH2CH3 1-Butyne
Cs CH2CCHCH3 1,2-Butadiene
Cs CH3CHCHCH2 methylallyl radical
Cs C4H8 methylcyclopropane
Cs CH2CH(CH3)2 Isobutyl radical
Cs C3H3N acrylonitrile C3H3N+ acrylonitrile cation
Cs CH3N3 methyl azide
Cs NH2CH2CN Aminoacetonitrile
Cs C2H5CN ethyl cyanide
Cs C3H7N Cyclopropylamine
Cs CH3CH(NH2)CH3 2-Propanamine
Cs NH2CH2CH2CH3 1-Propanamine
Cs C3H7NH3+ n-propylamine, protonated
Cs C3O Tricarbon monoxide
Cs HCO3- bicarbonate anion
Cs HNO3 Nitric acid
Cs NH2NO2 nitramide
Cs CH3COO- acetate anion CH3COO- acetate anion (conformer 2)
Cs CH3NO2 Methane, nitro- CH3NO2 Methane, nitro- (conformer 2)
Cs NH2COOH Carbamic acid
Cs CH3ONO Methyl nitrite
Cs CH2CHCHO Acrolein
Cs C3H4O 2-Propyn-1-ol
Cs C3H4O Methylketene
Cs C3H4O allenol
Cs NH2CONH2 Urea
Cs CH3COOH Acetic acid
Cs CH3OCHO methyl formate
Cs CHOCH2OH hydroxy acetaldehyde
Cs NH3COOH+ protonated Carbamic acid
Cs NH2COOH2+ Carbamic acid, O-protonated
Cs CH3COCH2 Acetonyl radical
Cs CH3CHNOH Acetaldoxime CH3CHNOH Acetaldoxime (conformer 2)
Cs HCONHCH3 N-methylformamide HCONHCH3 N-methylformamide (conformer 3)
Cs C2H5OO ethylperoxy radical
Cs CH5N2O+ urea, N-protonated
Cs H2NCOHNH2+ urea, protonated
Cs CH3COCH3 Acetone CH3COCH3- acetone anion
Cs C3H6O 2-Propen-1-ol
Cs CH3CH2CHO Propanal
Cs C3H6O Oxetane
Cs C3H6O Acetone enol
Cs HOCH2CH2NH2 monoethanolamine
Cs C3H7OH 1-Propanol
Cs CH3OC2H5 Ethane, methoxy-
Cs FONO Nitrosyl hypofluorite
Cs NF3- Nitrogen trifluoride anion
Cs CH3COF Acetyl fluoride
Cs CH3CHF2 Ethane, 1,1-difluoro-
Cs CH3CHFCH3 2-Fluoropropane
Cs CH2FCH2CH3 1-Fluoropropane
Cs F2SO Thionyl Fluoride
Cs SF3 Sulfur trifluoride
Cs S2F2 Thio-thionyl fluoride
Cs H2SO3 Sulfurous acid H2SO3 Sulfurous acid (conformer 2)
Cs C3H6S Thietane
Cs CH3SOCH3 Dimethyl sulfoxide
Cs CH3CHSHCH3 2-Propanethiol
Cs C3H7SH 1-Propanethiol
Cs CH3SCH2CH3 Ethane, (methylthio)-
Cs COFCl Carbonic chloride fluoride
Cs ClONO chlorine nitrite
Cs ClO2F Chloryl fluoride
Cs SOCl2 thionyl chloride
Cs CHF2Cl difluorochloromethane
Cs HClO3 Chloric Acid
Cs CHFCl2 fluorodichloromethane
Cs CHFCHClz (Z)-1-Chloro-2-fluoroethene
Cs CHFCHCl (E)-1-chloro-2-fluoroethene
Cs C2H2ClF 1-chloro-1-fluoroethylene
Cs CH3COCl Acetyl Chloride
Cs CH2ClCHO chloroacetaldehyde
Cs CH2FCH2Cl Ethane, 1-chloro-2-fluoro-
Cs CH3CHCl2 Ethane, 1,1-dichloro-
Cs C3H5Cl 1-Propene, 3-chloro-
Cs C3H5Cl 1-chloro-1-propene(Z)
Cs C3H5Cl 1-chloro-1-propene(E)
Cs CH2ClCH2OH 2-Chloroethanol
Cs CH3CHClCH3 Propane, 2-chloro-
Cs CH2ClCH2CH3 Propane, 1-chloro-
Cs SeOCl2 selenium oxychloride
Cs BrONO Bromine nitrite BrONO Bromine nitrite (conformer 2)
Cs CHBrF2 Methane, bromodifluoro-
Cs CHBrCl2 Methane, bromodichloro-
Cs CHClBr2 Methane, dibromochloro-
Cs CH3CHBrCH3 i-propyl bromide
Cs CH3CH2CH2Br n-propyl bromide
Cs C5H6 1-Buten-3-yne, 2-methyl-
Cs C5H6 3-Penten-1-yne, (Z)-
Cs C5H6 3-Penten-1-yne, (E)-
Cs C5H6 Bicyclo[2.1.0]pent-2-ene
Cs C5H6 Cyclopropylacetylene
Cs C5H8 1,3-Butadiene, 2-methyl-
Cs C5H8 Cyclopentene
Cs C5H8 Bicyclo[2.1.0]pentane
Cs C5H8 1-pentyne
Cs C5H8 Ethenylcyclopropane
Cs C5H8 Cyclobutane, methylene-
Cs C5H8 1,3-Pentadiene, (Z)-
Cs C5H8 1,3-Pentadiene, (E)-
Cs C5H10 2-Butene, 2-methyl-
Cs C5H10 2-Pentene, (E)-
Cs CH2N4 1H-Tetrazole
Cs C2H3N3 1H-1,2,4-Triazole
Cs C3H4N2 1H-Pyrazole
Cs C3H4N2 1H-Imidazole
Cs C3H4N2 4H-Imidazole
Cs C4H5N (E)-2-Butenenitrile
Cs C4H5N (Z)-2-Butenenitrile
Cs C4H5N Cyclopropanecarbonitrile
Cs C4H5N 3H-pyrrole
Cs C4H5N 2H-pyrrole
Cs C4H6N+ pyrrole, beta-protonated
Cs C4H6N+ pyrrole, alpha-protonated
Cs C3H6N2 3-Aminopropionitrile
Cs CH3CH(CH3)CN Propanenitrile, 2-methyl-
Cs CH3CH2CH2CN Butanenitrile
Cs C4H9N Pyrrolidine
Cs C4H9N Cyclobutylamine
Cs NH(C2H5)2 diethylamine
Cs N2O3 Dinitrogen trioxide
Cs C3H2O2 Propiolic acid
Cs CHOCOOH oxo acetic acid
Cs C3H3NO Isoxazole
Cs C3H3NO Oxazole
Cs CH3C(O)OO acetyl peroxy radical
Cs CH3NO3 Methyl nitrate
Cs CH3COCCH 3-butyn-2-one
Cs C3H4O2 β–Propiolactone
Cs C3H4O2 Methyl glyoxal
Cs C3H4O2 2-Propenoic acid
Cs C3H4O2 propenalol
Cs HOCH2COOH Hydroxyacetic acid
Cs C2H4O3 1,2,3-trioxolane
Cs CH3OCH2CN Methoxyacetonitrile
Cs H2NCH2COOH Glycine
Cs CHOCHCHCH3 2-Butenal
Cs C4H6O cis-2-butenal
Cs CH3CH2COOH Propanoic Acid
Cs CH3COOCH3 methyl acetate
Cs C3H6O2 1,3-Dioxolane
Cs C3H7NO dimethylformamide C3H7NO dimethylformamide (conformer 3)
Cs CHOCH(CH3)CH3 Propanal, 2-methyl-
Cs CH3COCH2CH3 2-Butanone
Cs C4H8O Furan, tetrahydro-
Cs CHOCH2CH2CH3 Butanal
Cs C4H8O Cyclobutanol
Cs C4H10O 1-Butanol
Cs C4H10O Ethanol, 1,1-dimethyl-
Cs C4H10O Methyl propyl ether
Cs FNO3 Fluorine nitrate
Cs C2HF3 Trifluoroethylene C2HF3+ Trifluoroethylene cation
Cs CF3OH trifluoromethanol
Cs PF3CH2 phosphorane, trifluoromethylene-
Cs CF3PH2 phosphine, (trifluoromethyl)-
Cs HSO4- bisulfate anion
Cs CH3SO2NH2 methanesulfonamide
Cs C(CH3)3SH 2-Propanethiol, 2-methyl-
Cs C4H9SH 1-Butanethiol
Cs ClONO2 Chlorine nitrate
Cs ClOF3 Chlorine trifluoride oxide
Cs HClO4 perchloric acid
Cs CHClCCl2 Trichloroethylene
Cs CH3CF2Cl 1-Chloro-1,1-Difluoroethane
Cs CH3CFCl2 1,1-Dichloro-1-fluoroethane
Cs CH2ClCHCHCH3 2-Butene, 1-chloro-
Cs CH2CClCH2CH3 1-Butene, 2-chloro-
Cs CH3CClCHCH3 2-Butene, 2-chloro-, (Z)-
Cs CH3CClCHCH3 2-Butene, 2-chloro-, (E)-
Cs CHClCHCH2CH3 (Z)-1-Chloro-1-butene
Cs CH2ClCH2CH2CH3 Butane, 1-chloro-
Cs CaCO3 Calcium Carbonate
Cs BrONO2 Bromine nitrate
Cs CBrClF2 Methane, bromochlorodifluoro-
Cs CHBrCF2 1-Bromo-2,2-difluoroethylene
Cs C6H10 Bicyclo[3.1.0]hexane
Cs C6H10 1-Hexyne
Cs C6H10 2-Hexyne
Cs C6H10 2,4-Hexadiene, (E,Z)-
Cs C6H10 2,4-Hexadiene, (Z,Z)-
Cs C6H10 1,3-Hexadiene, (Z)-
Cs C6H10 1,3-Hexadiene, (E)-
Cs C6H12 2,3-dimethylbut-1-ene
Cs C6H12 (1r,3r)-1,3-dimethylcyclobutane
Cs C6H12 (E)-2-Hexene
Cs C6H12 (Z)-hex-2-ene
Cs C6H12 cis-1,2-dimethylcyclobutane
Cs C4H6(CH3)2 1,1-dimethylcyclobutane
Cs C6H14 Pentane, 3-methyl-
Cs C2H4N4 1H-Tetrazole, 5-methyl-
Cs C2H4N4 1H-Tetrazole, 1-methyl-
Cs C5H5N Bicyclo[1.1.0]butane-1-carbonitrile
Cs C5H7N Cyclobutanecarbonitrile
Cs C5H7N (E)-2-Pentenenitrile
Cs C5H9N Pentanenitrile
Cs C5H11N Piperidine C5H11N Piperidine (conformer 2)
Cs C5H11N Cyclopentanamine
Cs C4H12N2 2-Methyl-1,2-propanediamine
Cs C2H3NO3 Oxamic acid C2H3NO3 Oxamic acid (conformer 2)
Cs C5H6O 2-methylfuran
Cs C5H6O 3-Methylfuran
Cs C4H6O2 Crotonic Acid
Cs C4H7NO Oxazole, 4,5-dihydro-2-methyl-
Cs C4H7NO Ethoxyacetonitrile
Cs HCONH2CN2H4 formamide aminomethanimine dimer
Cs C3H7ONO Propyl nitrite
Cs C5H8O Methyl cyclopropyl ketone
Cs C4H8O2 Ethyl acetate C4H8O2 Ethyl acetate (conformer 2)
Cs C4H8O2 1,3-Dioxane
Cs C5H10O 2-Pentanone
Cs C5H10O Pentanal
Cs C5H10O 2H-Pyran, tetrahydro-
Cs C5H10O Oxetane, 3,3-dimethyl-
Cs C4H10O2 1,1-Dimethoxyethane
Cs C4H11NO Diethylhydroxylamine
Cs C5H12O 1-Pentanol
Cs C5H12O 1-Butanol, 3-methyl-
Cs C5H12O Butane, 1-methoxy-
Cs C5H12O Propane, 1-ethoxy-
Cs C5H12O Propane, 2-methoxy-2-methyl-
Cs CF3CN+ Acetonitrile, trifluoro- cation
Cs CF3OF Trifluoromethylhypofluorite
Cs CF3CHO trifluoroacetaldehyde
Cs CF3CH2F 1,1,1,2-tetrafluoroethane
Cs CF3COOH trifluoroacetic acid
Cs SF5 Sulfur pentafluoride
Cs C3H4O2S 2H-Thiete-1,1-dioxide
Cs C5H6S Thiophene, 2-methyl-
Cs C5H6S Thiophene, 3-methyl-
Cs C4H6OS Vinyl sulfoxide
Cs C5H10S 2H-Thiopyran, tetrahydro-
Cs C5H10S 3-Ethylthio-1-propene
Cs C5H12S 1-Pentanethiol
Cs C5H12S 1-Butanethiol, 3-methyl-
Cs C5H12S Butane, 1-(methylthio)-
Cs C5H12S 1-Propanethiol, 2,2-dimethyl-
Cs C5H12S Ethyl propyl sulfide
Cs C5H12S Propane, 2-(ethylthio)-
Cs C5H12S Propane, 2-methyl-2-(methylthio)-
Cs CCl3CHO trichloroacetaldehyde
Cs CF3CH2Cl 2,2,2-Trifluoroethyl chloride
Cs CHCl2CHF2 1,1-dichloro-2,2-difluoroethane
Cs C4H3ClO Furan, 2-chloro
Cs C4H3ClO Furan,3-chloro
Cs C3H5Cl3 Propane, 1,2,3-trichloro-
Cs C4H9ClO 1-Chloro-2-ethoxyethane
Cs C5H11Cl Pentane, 1-chloro-
Cs C7H7 cycloheptatrienyl radical
Cs C6H5CH3 toluene
Cs C6H7N 2-Methylpyridine
Cs C6H5NH2 aniline
Cs N2O5 Dinitrogen pentoxide
Cs C5H4O2 furfural C5H4O2 furfural (conformer 2)
Cs C5H5NO 3-Pyridinol
Cs C5H5NO 2-Pyridinol
Cs C5H5NO 4-Pyridinol
Cs C5H5NO 3(2H)-Pyridinone
Cs C5H5NO 3(6H)-Pyridinone
Cs C5H5NO 3(4H)-Pyridinone
Cs C5H5NO 2(5H)-Pyridinone
Cs C5H5NO 4(3H)-Pryidinone
Cs C5H5NO 2(1H)-Pyridinone
Cs C6H5OH phenol
Cs C6H6O 2,5-Cyclohexadienone
Cs C6H6O 2,4-Cyclohexadienone
Cs C6H10O cyclohexanone
Cs C6H12O hexanal
Cs CF3COO- trifluoro acetate anion
Cs CF3COF trifluoroacetyl fluoride
Cs CF3CHF2 pentafluoroethane
Cs CF3COCl trifluoroacetyl chloride
Cs CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane
Cs C6H5CHCH2 Styrene
Cs C6H5CH2CH3 Ethylbenzene
Cs CH3C6H4CH3 meta-xylene
Cs C8H16 cyclooctane C8H16 cyclooctane (conformer 3)
Cs C4H4N2O2 Uracil
Cs C6H5NO nitrosobenzene
Cs C6H5CHO benzaldehyde
Cs C6H5OCH3 Anisole
Cs C6H12O2 Hexanoic acid
Cs CF3CF2Cl pentafluorochloroethane
Cs CF3CFCl2 1,1-Dichlorotetrafluoroethane
Cs C9H8 Indene
Cs C9H12 n-propyl benzene
Cs C5H4N4 purine
Cs C8H7N Indole
Cs C6H5COOH benzoic acid
Cs CH3COC6H5 acetophenone
Cs C10H8 Azulene
Cs SF5CF3 Sulfur, pentafluoro(trifluoromethyl)-
D∞h H2 Hydrogen diatomic H2- hydrogen diatomic anion H2+ Hydrogen cation
D∞h D2 Deuterium diatomic
D∞h He2+ helium dimer cation
D∞h BeH2 beryllium dihydride BeH2+ Beryllium dihydride cation (conformer 2)
D∞h BH2+ Boron dihydride cation
D∞h CH2 Methylene CH2+ methylene cation (conformer 2)
D∞h MgH2 magnesium dihydride
D∞h AlH2+ aluminum dihydride cation
D∞h CaH2 Calcium Hydride
D∞h ZnH2 Zinc hydride
D∞h Li2 Lithium diatomic Li2 Lithium diatomic Li2- lithium dimer anion Li2+ lithium diatomic cation
D∞h Be2 Beryllium diatomic Be2 Beryllium diatomic Be2- Beryllium dimer anion Be2+ Beryllium diatomic cation
D∞h B2 Boron diatomic B2 Boron diatomic B2 Boron diatomic B2- Boron diatomic anion B2+ Boron diatomic cation
D∞h C2 Carbon diatomic C2 Carbon diatomic C2 Carbon diatomic C2 Carbon diatomic C2- carbon diatomic anion C2+ carbon diatomic cation C2+ carbon diatomic cation
D∞h C2H2 Acetylene HCCH- acetylene anion C2H2+ acetylene cation
D∞h N2 Nitrogen diatomic N2- nitrogen diatomic anion N2+ diatomic nitrogen cation
D∞h O2 Oxygen diatomic O2 Oxygen diatomic O2 Oxygen diatomic O2 Oxygen diatomic O2- oxygen diatomic anion O2+ diatomic oxygen cation
D∞h F2 Fluorine diatomic F2- flourine diatomic anion F2+ flourine diatomic cation
D∞h Ne2 Neon dimer Ne2+ Neon dimer cation
D∞h Na2 Sodium diatomic Na2- sodium dimer anion Na2+ sodium dimer cation
D∞h Mg2 Magnesium diatomic Mg2- magnesium dimer anion Mg2+ magnesium dimer cation
D∞h Al2 Aluminum diatomic Al2 Aluminum diatomic Al2 Aluminum diatomic Al2- aluminum dimer anion Al2+ aluminum dimer cation
D∞h Si2 Silicon diatomic Si2 Silicon diatomic Si2- silcon dimer anion Si2+ silcon dimer cation
D∞h P2 Phosphorus diatomic P2- phosphorus dimer anion P2+ phosphorus dimer cation
D∞h S2 Sulfur diatomic S2 Sulfur diatomic S2- sulfur dimer anion S2+ sulfur dimer cation
D∞h Cl2 Chlorine diatomic Cl2- chlorine diatomic anion Cl2+ chlorine diatomic cation
D∞h Ar2 Argon dimer Ar2+ Argon dimer cation
D∞h K2 Potassium dimer
D∞h Ca2 Calcium dimer
D∞h Cu2 Copper dimer Cu2 Copper dimer
D∞h Ga2 Gallium diatomic
D∞h Ge2 Germanium dimer Ge2 Germanium dimer
D∞h As2 Arsenic diatomic
D∞h Se2 Selenium diatomic Se2 Selenium diatomic Se2- selenium dimer anion Se2+ selenium dimer cation
D∞h Br2 Bromine diatomic Br2- bromine diatomic anion Br2+ bromine diatomic cation
D∞h I2 Iodine diatomic I2+ Iodine diatomic cation
D∞h C3 carbon trimer C3+ carbon trimer cation
D∞h N3 azide radical N3- azide anion N3+ azide cation
D∞h Li2O dilithium oxide Li2O+ dilithium oxide cation
D∞h BO2 Boron dioxide BO2- Boron dioxide anion BO2+ Boron dioxide cation BO2+ Boron dioxide cation
D∞h CO2 Carbon dioxide CO2- Carbon dioxide anion (conformer 2) CO2+ Carbon dioxide cation
D∞h NO2+ Nitrogen dioxide cation
D∞h Be(OH)2 Beryllium hydroxide
D∞h BeF2 Beryllium fluoride
D∞h F3- trifluoride anion
D∞h Na2O disodium monoxide
D∞h MgF2 Magnesium fluoride
D∞h Mg(OH)2 Magnesium dihydroxide
D∞h SiO2 silicon dioxide
D∞h PO2+ Phosphorus dioxide cation
D∞h Li2S dilithium sulfide
D∞h SF2- sulfur difluoride anion
D∞h CS2 Carbon disulfide CS2+ Carbon disulfide cation
D∞h SiS2 Silicon disulfide
D∞h BeCl2 Beryllium chloride
D∞h MgCl2 Magnesium dichloride
D∞h Cl3- trichloride anion
D∞h CaCl2 Calcium Chloride
D∞h CuF2 Copper difluoride
D∞h ZnF2 Zinc difluoride
D∞h ZnCl2 Zinc dichloride
D∞h GeO2 Germanium dioxide
D∞h GeS2 Germanium disulfide
D∞h CSe2 Carbon diselenide
D∞h KrF2 Krypton difluoride
D∞h C4 Carbon tetramer C4+ Carbon tetramer cation
D∞h C4H2 Diacetylene C4H2+ diacetlyene cation
D∞h C2N2 Cyanogen C2N2+ Cyanogen cation
D∞h B2O2 Diboron dioxide
D∞h C2F2 difluoroacetylene
D∞h C2Cl2 dichloroacetylene C2Cl2+ dichloroacetylene cation
D∞h C3O2 Carbon suboxide C3O2+ Carbon suboxide cation
D∞h C6H2 hexatriyne
D∞h C4N2 2-Butynedinitrile
D2 C2H4+ Ethylene cation
D2 B2F4 Diboron tetrafluoride
D2 C8H16 cyclooctane
D2 C12H10 biphenyl
D2d BH4 borohydride
D2d CH4+ Methane cation
D2d B2H4 Diborane(4) D2d
D2d CH2CCH2 allene
D2d C4H8 cyclobutane
D2d NH2CCNH2 Diaminoacetylene
D2d C5H8 Spiropentane
D2d C2O4-- oxalate anion C2O4-- oxalate anion (conformer 2)
D2d B2F4 Diboron tetrafluoride
D2d B2Cl4 Diboron tetrachloride
D2d F2CCCF2 tetrafluoroallene
D2d C8H8 cyclooctatetraene
D2d S4N4 Tetrasulfur tetranitride
D2d C9H8 spiro[4.4]nona-1,3,6,8-tetraene
D2h B2H6 Diborane
D2h C2H4 Ethylene C2H4- Ethylene anion C2H4+ Ethylene cation
D2h Al2H6 dialane
D2h Ga2H6 digallane
D2h C4H4 cyclobutadiene
D2h H2CCCCH2 Butatriene
D2h C2H4O2 1,3-dioxetane
D2h S2N2 Disulfur dinitride
D2h Na2Cl2 Disodium dichloride
D2h C6H8 1,4-Cyclohexadiene
D2h C6H8 Bicyclo[2.2.0]hex-1(4)-ene
D2h C2H2N4 sym-tetrazine
D2h C4H4N2 Pyrazine
D2h N2O4 Dinitrogen tetroxide
D2h B2F4 Diboron tetrafluoride
D2h C2F4 Tetrafluoroethylene C2F4+ Tetrafluoroethylene cation
D2h C2Cl4 Tetrachloroethylene
D2h C6H4O2 parabenzoquinone
D2h C6H4F2 1,4-difluorobenzene
D2h Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi-
D2h C10H8 naphthalene
D2h C6N4 Tetracyanoethylene C6N4- tetracyanoethylene anion
D2h C12H8 biphenylene
D2h C14H10 Anthracene
D2h C16H10 Pyrene
D2h C18H12 Tetracene
D3 CH6N3+ guanidinium
D3 C6H6 2,4-Hexadiyne
D3 C8H14 Bicyclo[2.2.2]octane
D3 C6H12N2 Triethylenediamine
D3d C2H6 Ethane C2H6+ ethane cation (conformer 3)
D3d C2H7+ Ethane, protonated
D3d Si2H6 disilane
D3d Zn(CH3)2 dimethyl zinc
D3d C6H6 2,4-Hexadiyne
D3d C6H12 Cyclohexane
D3d (CH3)3CC(CH3)3 tetramethylbutane
D3d C2F6 hexafluoroethane
D3d C2Cl6 hexachloroethane
D3d C6H12O6 Inositol
D3h H3+ hydrogen trimer cation
D3h BH3 boron trihydride BH3- boron trihydride anion BH3+ boron trihydride cation
D3h CH3 Methyl radical CH3+ methyl cation
D3h NH3+ ammonia cation
D3h AlH3 aluminum trihydride AlH3- aluminum trihydride anion AlH3+ aluminum trihydride cation
D3h SiH3+ Silyl cation
D3h ScH3 Scandium trihydride
D3h GaH3 Gallium trihydride
D3h GeH3+ germyl cation
D3h C2H6 Ethane
D3h Li3+ Lithium trimer cation
D3h C3H3 cyclopropenyl radical C3H3+ cyclopropenyl cation
D3h C3H6 Cyclopropane
D3h Zn(CH3)2 dimethyl zinc
D3h CH3CCCH3 2-Butyne
D3h Li3N trilithium nitride
D3h CH6N3+ guanidinium
D3h CO3-- carbonate
D3h NO3 Nitrogen trioxide NO3- nitrate anion NO3+ nitrogen trioxide cation (conformer 2)
D3h BF3 Borane, trifluoro- BF3- Borane, trifluoro- anion BF3+ boron trifluoride cation
D3h CF3+ Trifluoromethyl cation
D3h AlF3 Aluminum trifluoride
D3h SiF3+ Silicon trifluoride cation
D3h SO3 Sulfur trioxide SO3- Sulfur trioxide anion SO3- Sulfur trioxide anion (conformer 2) SO3+ Sulfur trioxide cation
D3h ClF3 Chlorine trifluoride
D3h BCl3 Borane, trichloro-
D3h CCl3+ Trichloromethyl cation
D3h AlCl3 Aluminum trichloride
D3h SiCl3+ trichlorosilyl cation
D3h ScF3 Scandium trifluoride
D3h GaF3 Gallium trifluoride
D3h GaCl3 Gallium trichloride
D3h SeO3 selenium trioxide
D3h BBr3 Boron tribromide
D3h C5H6 Propellane
D3h C6H6 2,4-Hexadiyne
D3h C6H6 Trimethylenecycopropane
D3h C3H3N3 1,3,5-Triazine
D3h B3N3H6 borazine
D3h SiF5- silicon pentafluoride anion
D3h PF5 Phosphorus pentafluoride
D3h SF5+ pentafluoro sulfur cation
D3h ClF5 chlorinepentafluoride
D3h PCl5 Phosphorus pentachloride
D3h AsF5 Arsenic pentafluoride
D3h C8H14 Bicyclo[2.2.2]octane
D3h C6H12N2 Triethylenediamine
D3h C3H3N3O3 cyanuric acid
D3h C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro-
D3h Fe(CO)5 Iron pentacarbonyl
D4d S8 Octasulfur
D4h C4H4 cyclobutadiene
D5d Fe(C5H5)2 ferrocene
D5h C5H5 cyclopentadienyl radical
D5h C5H5- cylopentadienyl anion
D5h Fe(C5H5)2 ferrocene
D6h C6H6 Benzene
D6h C6F6 hexafluorobenzene
D6h C24H12 Coronene
D7h C7H7+ cycloheptatrienyl cation
Ih C60 Buckminsterfullerene
Kh H Hydrogen atom H- Hydrogen atom anion H+ Hydrogen atom cation
Kh D Deuterium atom D- Deuterium atom anion D+ Deuterium atom cation
Kh He Helium atom He- Helium atom anion He+ Helium atom cation
Kh Li Lithium atom Li- Lithium atom anion Li+ Lithium atom cation
Kh Be Beryllium atom Be- Beryllium atom anion Be+ Beryllium atom cation
Kh B Boron atom B Boron atom B- Boron atom anion B- Boron atom anion B+ Boron atom cation
Kh C Carbon atom C Carbon atom C- Carbon atom anion C- Carbon atom anion C+ Carbon atom cation
Kh N Nitrogen atom N Nitrogen atom N- Nitrogen atom anion N+ Nitrogen atom cation
Kh O Oxygen atom O- Oxygen atom anion O+ Oxygen atom cation
Kh F Fluorine atom F- Fluorine atom anion F+ Fluorine atom cation F+ Fluorine atom cation
Kh Ne Neon atom Ne- Neon atom anion Ne+ Neon atom cation
Kh Na Sodium atom Na- Sodium atom anion Na+ Sodium atom cation
Kh Mg Magnesium atom Mg- Magnesium atom anion Mg+ Magnesium atom cation
Kh Al Aluminum atom Al- Aluminum atom anion Al- Aluminum atom anion Al+ Aluminum atom cation
Kh Si Silicon atom Si Silicon atom Si- Silicon atom anion Si+ Silicon atom cation
Kh P Phosphorus atom P- Phosphorus atom anion P+ Phosphorus atom cation
Kh S Sulfur atom S- Sulfur atom anion S+ Sulfur atom cation
Kh Cl Chlorine atom Cl- Chlorine atom anion Cl- Chlorine atom anion Cl+ Chlorine atom cation Cl+ Chlorine atom cation
Kh Ar Argon atom Ar- Argon atom anion Ar+ Argon atom cation
Kh K Potassium atom K- Potassium atom anion K+ Potassium atom cation
Kh Ca Calcium atom Ca- Calcium atom anion Ca+ Calcium atom cation
Kh Sc Scandium atom Sc Scandium atom Sc+ Scandium cation
Kh Ti Titanium atom Ti- Titanium atom anion Ti+ Titanium atom cation
Kh V Vanadium atom V+ Vanadium atom cation
Kh Cr Chromium atom
Kh Mn Manganese atom
Kh Fe Iron atom
Kh Co Cobalt atom
Kh Ni Nickel atom
Kh Cu Copper atom Cu- Copper atom anion Cu+ Copper atom cation
Kh Zn Zinc atom Zn- Zinc atom anion Zn+ Zinc atom cation
Kh Ga Gallium atom Ga- Gallium atom anion Ga+ Gallium atom cation
Kh Ge Germanium atom Ge- Germanium anion Ge+ Germanium cation
Kh As Arsenic atomic As- Arsenic anion As+ Arsenic cation
Kh Se Selenium atom Se- Selenium atom anion Se+ Selenium atom cation
Kh Br Bromine atom Br- Bromine atom anion Br+ Bromine atom cation
Kh Kr Krypton atom Kr+ Krypton cation
Kh I Iodine atom I- Iodine atom anion I+ Iodine atom cation
Kh Xe Xenon atom
Kh XeH+ Xenon, protonated
Oh PF6- Hexafluorophosphate ion
Oh SF6 Sulfur Hexafluoride
Oh SeF6 Selenium hexafluoride
Oh C8H8 cubane
Td BH4- borohydride anion
Td CH4 Methane CH4- Methane anion CH4+ Methane cation (conformer 2)
Td CD4 methane-d4
Td NH4+ ammonium cation
Td AlH4- Aluminum tetrahydride anion
Td SiH4 Silane
Td PH4+ phosphonium cation
Td GeH4 Germane
Td P4 Phosphorus tetramer
Td As4 Arsenic tetramer
Td C5H12 Propane, 2,2-dimethyl-
Td NC4H12+ tetramethyl ammonium cation
Td BF4- tetrafluoroboron anion
Td CF4 Carbon tetrafluoride
Td SiF4 Silicon tetrafluoride
Td Si(CH3)4 tetramethylsilane
Td PO4--- phosphate
Td SO4-- sulfate
Td ClO4- perchlorate anion
Td CCl4 Carbon tetrachloride CCl4+ Carbon tetrachloride cation
Td SiCl4 Silane, tetrachloro-
Td TiF4 Titanium tetrafluoride
Td TiCl4 Titanium tetrachloride
Td GeF4 Germanium tetrafluoride
Td GeCl4 Germanium Tetrachloride
Td CBr4 Carbon tetrabromide
Td SiBr4 Silicon tetrabromide
Td C(CN)4 tetracyanomethane
Td C10H16 adamantane