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I.B.1.d.6.

List of molecules with calculations for multiple conformations, states, and charged species

Multiple conformations

Species Name CAS Number Completed calculations
conformation 1 conformation 2 conformation 3
BeH2+ Beryllium dihydride cation 7787522 367 363 0
CaH2 Calcium Hydride 7789788 177 28 0
BH3- boron trihydride anion 13283313 235 13 0
BH3+ boron trihydride cation 13283313 853 849 4
AlH3- aluminum trihydride anion 7784216 267 3 0
AlH3+ aluminum trihydride cation 7784216 260 236 0
CH2 Methylene 2465567 788 57 0
CH4+ Methane cation 74828 243 223 216
H2O- water anion 7732185 222 5 0
H2S- Hydrogen sulfide anion 7783064 20 18 0
C2H+ Ethynyl cation 2122487 241 3 0
C2H3+ vinyl cation 2669898 273 185 0
C2H4- Ethylene anion 74851 258 3 0
C2H5+ Ethyl cation 2025561 223 52 0
C2H6 Ethane 74840 832 348 0
C2H6+ ethane cation 74840 340 296 0
C2H7+ Ethane, protonated 9000381 310 36 0
ZnCH2 Zinc methylene 115410770 152 151 0
HCNH HCNH 54980119 370 370 0
NH3NH3 Ammonia Dimer 22 292 113 0
HOCH hydroxycarbene 19710566 342 342 0
H2O2+ Hydrogen peroxide cation 7722841 341 341 0
CH3OH- Methyl alcohol anion 67561 20 3 0
CH3OH+ Methyl alcohol cation 67561 20 19 0
H2POH Phosphinous acid 25756870 420 420 0
CH2Cl chloromethyl radical 6806866 286 257 0
C3 carbon trimer 12075353 612 526 0
C3+ carbon trimer cation 12075353 253 3 0
Zn(CH3)2 dimethyl zinc 544978 151 15 4
NH2CN cyanamide 420042 194 17 0
CH3CN- acetonitrile anion 75058 256 9 0
CH3CN+ Acetonitrile cation 75058 174 160 0
CH3CHNH ethanimine 20729413 218 207 0
NH2CH2NH2 diaminomethane 2372885 321 2 0
O3- Ozone anion 10028156 266 3 0
CO2- Carbon dioxide anion 124389 277 11 0
CO2+ Carbon dioxide cation 124389 273 250 0
HOCO Hydrocarboxyl radical 2564865 223 200 0
HCCO ketenyl radical 51095159 65 2 0
CH3OO+ methylperoxy cation 2143580 258 3 0
CHONH2 formamide 75127 234 18 0
CH2CH2OH 2-hydroxy ethyl radical 4422542 309 284 0
Na2O disodium monoxide 1313593 198 183 0
HSSSH trisulfane 13845233 342 8 0
F3- trifluoride anion 25730998 328 44 0
SF2- sulfur difluoride anion 13814250 375 365 0
HOClO Chlorous acid 13898470 237 31 0
ZnCl2 Zinc dichloride 7646857 149 10 0
C4H2+ diacetlyene cation 460128 272 11 0
C4H4 cyclobutadiene 1120532 341 18 0
CH2CHCHCH2 1,3-Butadiene 106990 251 178 0
CH3CH2CH2CH3 Butane 106978 237 169 0
CH6N3+ guanidinium 25215105 296 296 0
NO3+ nitrogen trioxide cation 12033497 513 377 0
ONNO NO dimer 57932566 114 3 3
H2CO3 Carbonic acid 463796 258 9 0
CHOCH2OH hydroxy acetaldehyde 141468 253 14 0
NH2CONH2 Urea 57136 585 470 0
CH3COCH3 Acetone 67641 263 3 0
C3H6O 2-Propen-1-ol 107186 246 10 0
CH3OOCH3 dimethylperoxide 690028 210 53 0
SO3- Sulfur trioxide anion 7446119 266 259 0
SeO3 selenium trioxide 13768860 314 3 0
BF3- Borane, trifluoro- anion 7637072 233 223 0
BF3+ boron trifluoride cation 7637072 246 9 1
NF3- Nitrogen trifluoride anion 7783542 270 243 0
C2H4F2 1,2-difluoroethane 624726 171 167 0
HClO3 Chloric Acid 7790934 255 190 0
CH2ClCH2CH3 Propane, 1-chloro- 540545 216 204 0
C5H5 cyclopentadienyl radical 2143535 19 15 0
C5H8 Ethenylcyclopropane 693867 25 6 0
C5H10 Cyclopentane 287923 182 3 0
CH2CHCH2CH2CH3 1-pentene 109671 197 166 0
C3O2 Carbon suboxide 504643 203 3 0
C3O2+ Carbon suboxide cation 504643 267 3 0
HOCH2COOH Hydroxyacetic acid 79141 240 4 0
CH3OCH2CN Methoxyacetonitrile 1738369 79 6 0
CH2CHOCHCH2 Vinyl ether 109933 220 173 0
C3H7NO dimethylformamide 68122 420 43 15
C3H8O2 Methane, dimethoxy- 109875 142 75 0
CH3COCH2CH3 2-Butanone 78933 62 8 0
C3H8O2 1,3-Propanediol 504632 213 10 0
C4H10O Ethanol, 1,1-dimethyl- 75650 47 7 0
CaCO3 Calcium Carbonate 471341 193 5 0
CH2ClCHCHCH3 2-Butene, 1-chloro- 591979 111 21 0
CBr2F2 Methane, dibromodifluoro- 75616 579 569 0
C6H6 2,4-Hexadiyne 2809690 155 3 0
C6H8 1,3-Cyclohexadiene 592574 201 3 0
C6H12 Cyclohexane 110827 202 173 0
C6H12 2-Hexene, (E)- 4050457 13 12 9
C6H12 trans-1,3-dimethylcyclobutane 2398109 26 22 0
C6H12 2-Hexene, (Z)- 7688213 7 7 0
C6H12 cis-1,2-dimethylcyclobutane 15679013 20 3 0
C4H6(CH3)2 dimethylcyclobutane 18931710 19 12 0
C5H11N Piperidine 110894 170 152 0
C2O4-2 oxalate anion 9000208 46 39 0
C2H3NO3 Oxamic acid 471476 229 184 0
C2H4CO3 Ethylene carbonate 96491 369 360 0
C4H6O2 2,3-Butanedione 431038 207 24 21
C5H6O 2-methylfuran 534225 9 9 0
C3H7ONO Propyl nitrite 543679 211 196 0
C4H8O2 1,3-Dioxane 505226 216 3 0
C4H8O2 Ethyl acetate 141786 208 180 0
C5H10O 2-Butanone, 3-methyl- 563804 185 3 0
C5H10O 3-Pentanone 96220 197 3 0
C5H10O 2-Pentanone 107879 37 4 0
C4H10O2 1,4-Butanediol 110634 197 13 0
C2H4N2S2 Ethanedithioamide 79403 181 3 0
C4H6OS Vinyl sulfoxide 1115157 213 3 0
C5H12S 1-Propanethiol, 2,2-dimethyl- 1679089 124 3 0
ClF5 chlorinepentafluoride 13637633 221 5 0
B2Cl4 Diboron tetrachloride 13701672 203 3 0
C3H5Cl3 Propane, 1,2,3-trichloro- 96184 175 3 0
C7H7 cycloheptatrienyl radical 3551277 19 3 0
C7H16 3-methylhexane 589344 138 7 0
N2O5 Dinitrogen pentoxide 10102031 36 12 0
C5H4O2 furfural 980101 209 197 0
C3H7OC3H7 di-n-propyl ether 111433 245 240 0
CH3C6H4CH3 paraxylene 106423 27 3 0
C8H14 Bicyclo[2.2.2]octane 280331 12 9 0
(CH3)3CC(CH3)3 tetramethylbutane 594821 21 3 0
C6H12N2 Triethylenediamine 280579 209 116 0
C6H4O2 parabenzoquinone 106514 207 3 0
C6H12O2 Hexanoic acid 142621 209 9 0
C4F4 tetrafluorcyclobutadiene 57070334 315 295 0
CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- 76131 170 9 0
CH3COC6H5 acetophenone 98862 256 7 0
C10H8 Azulene 275514 22 3 0
C4F6 perfluorobutadiene 685632 277 259 0
Fe(CO)5 Iron pentacarbonyl 13463406 34 33 0
Fe(C5H5)2 ferrocene 102545 14 8 0
C14H10 Anthracene 120127 149 5 0

Multiple states

Species Name
B- Boron atom anion
B Boron atom
BH- boron monohydride anion
BH2- boron dihydride anion
CH Methylidyne
C Carbon atom
CH2 Methylene
NH Imidogen
N Nitrogen atom
NH2+ Amino cation
OH+ hydoxyl cation
Al- Aluminum atom anion
SiH2 silicon dihydride
Si Silicon atom
PH phosphorus monohydride
SH+ sulfur monohydride cation
AsH Arsenic monohydride
HSe+ selenium monohydride cation
Li2 Lithium diatomic
Be2 Beryllium diatomic
B2 Boron diatomic
C2H+ Ethynyl cation
BC- boron monocarbide anion
CCH2 vinylidene
BC+ boron monocarbide cation
C2 Carbon diatomic
BC boron monocarbide
C2+ carbon diatomic cation
BeN Beryllium mononitride
BN boron nitride
BeN+ Beryllium mononitride cation
LiN Lithium Nitride
CO Carbon monoxide
LiO- lithium oxide anion
HO2+ Hydroperoxy cation
O2 Oxygen diatomic
LiO+ lithium oxide cation
NO- nitric oxide anion
HCF Fluoromethylene
CF- carbon monofluoride anion
NF nitrogen fluoride
AlN Aluminum nitride
Al2 Aluminum diatomic
SiF- silicon monofluoride anion
Si2 Silicon diatomic
SiC silicon monocarbide
CP+ carbon monophosphide cation
PF phosphorus monofluoride
SiP+ Silicon monophosphide cation
SO Sulfur monoxide
SF+ sulfur monofluoride cation
S2 Sulfur diatomic
PS- phosphorus monosulfide anion
NS- nitrogen sulfide anion
HCS- Thioformyl anion
PCl phosphorus chloride
ClO+ chlorine monoxide cation
HCCl Chloromethylene
SCl+ sulfur monochloride cation
NCl nitrogen monochloride
ZnCH2 Zinc methylene
ZnS Zinc sulfide
GaN Gallium mononitride
Ge2 Germanium dimer
AsF Arsenic monofluoride
SeO Selenium monoxide
Se2 Selenium diatomic
CHBr bromomethylene
NCN NCN
CCO Dicarbon monoxide
BO2+ Boron dioxide cation
CF2 Difluoromethylene
SiF2 Silicon difluoride
CH3COCH3 Acetone

Molecules with calculations for charged species

Species Name Charge Neutral Name
Al- Aluminum atom anion -1 Aluminum atom
Al+ Aluminum atom cation +1 Aluminum atom
Al2- aluminum dimer anion -1 Aluminum diatomic
Al2+ aluminum dimer cation +1 Aluminum diatomic
AlCl- aluminum monochloride anion -1 Aluminum monochloride
AlCl+ aluminum monochloride cation +1 Aluminum monochloride
AlF- Aluminum monofluoride anion -1 Aluminum monofluoride
AlF+ Aluminum monofluoride cation +1 Aluminum monofluoride
AlH- aluminum monohydride anion -1 aluminum monohydride
AlH+ aluminum monohydride cation +1 aluminum monohydride
AlH2- aluminum dihydride anion -1 aluminum dihydride
AlH2+ aluminum dihydride cation +1 aluminum dihydride
AlH3- aluminum trihydride anion -1 aluminum trihydride
AlH3+ aluminum trihydride cation +1 aluminum trihydride
AlH4- Aluminum tetrahydride anion -1
AlN- aluminum mononitride anion -1 Aluminum nitride
AlN+ aluminum mononitride cation +1 Aluminum nitride
AlO- Aluminum monoxide anion -1 Aluminum monoxide
AlO+ aluminum monoxide cation +1 Aluminum monoxide
AlS- aluminum monosulfide anion -1 Aluminum sulfide
AlS+ aluminum monosulfide cation +1 Aluminum sulfide
Ar- Argon atom anion -1 Argon atom
Ar+ Argon atom cation +1 Argon atom
ArH+ Argon hydride cation +1
As- Arsenic anion -1 Arsenic atomic
As+ Arsenic cation +1 Arsenic atomic
AsH+ Arsenic monohydride cation +1 Arsenic monohydride
AsH2+ Arsenic dihydride cation +1 Arsenic dihydride
AsH3+ Arsine cation +1 Arsine
B- Boron atom anion -1 Boron atom
B+ Boron atom cation +1 Boron atom
B2- Boron diatomic anion -1 Boron diatomic
B2+ Boron diatomic cation +1 Boron diatomic
BC- boron monocarbide anion -1 boron monocarbide
BC+ boron monocarbide cation +1 boron monocarbide
BCl- boron monochloride anion -1 boron monochloride
BCl+ boron monochloride cation +1 boron monochloride
Be- Beryllium atom anion -1 Beryllium atom
Be+ Beryllium atom cation +1 Beryllium atom
Be2- Beryllium dimer anion -1 Beryllium diatomic
Be2+ Beryllium diatomic cation +1 Beryllium diatomic
BeCl- beryllium monochloride anion -1 beryllium chloride
BeCl+ beryllium monochloride cation +1 beryllium chloride
BeF- Beryllium monofluoride anion -1 Beryllium monofluoride
BeF+ Beryllium monofluoride cation +1 Beryllium monofluoride
BeH- berylium monohydride anion -1 beryllium monohydride
BeH+ beryllium monohydride cation +1 beryllium monohydride
BeH2+ Beryllium dihydride cation +1 beryllium dihydride
BeN- Beryllium mononitride anion -1 Beryllium mononitride
BeN+ Beryllium mononitride cation +1 Beryllium mononitride
BeO- Beryllium monoxide anion -1 beryllium oxide
BeO+ Beryllium monoxide cation +1 beryllium oxide
BeS- Beryllium monosulfide anion -1 beryllium sulfide
BeS+ Beryllium monosulfide cation +1 beryllium sulfide
BF- Boron monofluoride anion -1 Boron monofluoride
BF+ Boron monofluoride cation +1 Boron monofluoride
BF3- Borane, trifluoro- anion -1 Borane, trifluoro-
BF3+ boron trifluoride cation +1 Borane, trifluoro-
BF4- tetrafluoroboron anion -1
BH- boron monohydride anion -1 Boron monohydride
BH+ boron monohydride cation +1 Boron monohydride
BH2- boron dihydride anion -1 boron dihydride
BH2+ Boron dihydride cation +1 boron dihydride
BH3- boron trihydride anion -1 boron trihydride
BH3+ boron trihydride cation +1 boron trihydride
BH4- borohydride anion -1
BN- boron nitride anion -1 boron nitride
BN+ boron nitride cation +1 boron nitride
BO- boron monoxide anion -1 boron monoxide
BO+ boron monoxide cation +1 boron monoxide
BO2- Boron dioxide anion -1 Boron dioxide
BO2+ Boron dioxide cation +1 Boron dioxide
Br- Bromine atom anion -1 Bromine atom
Br+ Bromine atom cation +1 Bromine atom
Br2- bromine diatomic anion -1 Bromine diatomic
Br2+ bromine diatomic cation +1 Bromine diatomic
BrCl- bromine chloride anion -1 Bromine monochloride
BrCl+ bromine chloride cation +1 Bromine monochloride
BrF- bromine fluoride anion -1 Bromine monofluoride
BrF+ bromine fluoride cation +1 Bromine monofluoride
BrO- Bromine monoxide anion -1 Bromine monoxide
BS- boron monosulfide anion -1 boron sulfide
BS+ boron monosulfide cation +1 boron sulfide
C- Carbon atom anion -1 Carbon atom
C+ Carbon atom cation +1 Carbon atom
C2- carbon diatomic anion -1 Carbon diatomic
C2+ carbon diatomic cation +1 Carbon diatomic
C2Cl2+ dichloroacetylene cation +1 dichloroacetylene
C2H- Ethynyl anion -1 Ethynyl radical
C2H+ Ethynyl cation +1 Ethynyl radical
C2H2+ acetylene cation +1 Acetylene
C2H2O2+ Ethanedial cation +1 Ethanedial
C2H3+ vinyl cation +1 vinyl
C2H4- Ethylene anion -1 Ethylene
C2H4+ Ethylene cation +1 Ethylene
C2H5+ Ethyl cation +1 Ethyl radical
C2H6+ ethane cation +1 Ethane
C2H7+ Ethane, protonated +1
C2HF3+ Trifluoroethylene cation +1 Trifluoroethylene
C2N2+ Cyanogen cation +1 Cyanogen
C2O4-2 oxalate anion -2
C3+ carbon trimer cation +1 carbon trimer
C3H3- Propargyl anion -1 Propargyl radical
C3H3+ cyclopropenyl cation +1
C3H3+ Propargyl cation +1 Propargyl radical
C3H3N+ acrylonitrile cation +1 acrylonitrile
C3H3N2- imidizolyl anion -1 imidazolyl radical
C3H5+ Allyl cation +1 Allyl radical
C3O2+ Carbon suboxide cation +1 Carbon suboxide
C4+ Carbon tetramer cation +1 Carbon tetramer
C4H2+ diacetlyene cation +1 Diacetylene
C4H4N- pyrrolide anion -1 pyrrolide radical
C5H5- cylopentadienyl anion -1
C6H5- phenyl anion -1 phenyl
C6N4- tetracyanoethylene anion -1 Tetracyanoethylene
C7H7+ cycloheptatrienyl cation +1 cycloheptatrienyl radical
Ca- Calcium atom anion -1 Calcium atom
Ca+ Calcium atom cation +1 Calcium atom
CaH+ Calcium monohydride cation +1 Calcium monohydride
CCl- carbon monochloride anion -1 carbon monochloride
CCl+ carbon monochloride cation +1 carbon monochloride
CCl2- dichloromethylene anion -1 dichloromethylene
CCl2+ dichloromethylene cation +1 dichloromethylene
CCl3- Trichloromethyl anion -1 Trichloromethyl radical
CCl3+ Trichloromethyl cation +1 Trichloromethyl radical
CF- carbon monofluoride anion -1 Fluoromethylidyne
CF+ carbon monofluoride cation +1 Fluoromethylidyne
CF2- Difluoromethylene anion -1 Difluoromethylene
CF2+ Difluoromethylene cation +1 Difluoromethylene
CF3- Trifluoromethyl anion -1 Trifluoromethyl radical
CF3+ Trifluoromethyl cation +1 Trifluoromethyl radical
CH- methylidyne anion -1 Methylidyne
CH+ Methylidyne cation +1 Methylidyne
CH2- methylene anion -1 Methylene
CH2+ methylene cation +1 Methylene
CH2CHF+ fluoroethene cation +1 Ethene, fluoro-
CH2CO+ Ketene cation +1 Ketene
CH2NH2+ methyleneamine cation +1
CH2OH+ hydroxymethyl cation +1 Hydroxymethyl radical
CH3- methyl anion -1 Methyl radical
CH3+ methyl cation +1 Methyl radical
CH3CN- acetonitrile anion -1 Acetonitrile
CH3CN+ Acetonitrile cation +1 Acetonitrile
CH3CO- Acetyl anion -1 Acetyl radical
CH3CO+ acetyl cation +1 Acetyl radical
CH3COCH3- acetone anion -1 Acetone
CH3COO- acetate anion -1
CH3NH3+ protonated methylamine +1
CH3O- methoxy anion -1 Methoxy radical
CH3OH- Methyl alcohol anion -1 Methyl alcohol
CH3OH+ Methyl alcohol cation +1 Methyl alcohol
CH3OH2+ Methanol, protonated +1
CH3OO- methylperoxy anion -1 methylperoxy radical
CH3OO+ methylperoxy cation +1 methylperoxy radical
CH4+ Methane cation +1 Methane
CH6N3+ guanidinium +1
Cl- Chlorine atom anion -1 Chlorine atom
Cl+ Chlorine atom cation +1 Chlorine atom
Cl2- chlorine diatomic anion -1 Chlorine diatomic
Cl2+ chlorine diatomic cation +1 Chlorine diatomic
Cl3- trichloride anion -1
ClF- clorine monofluoride anion -1 Chlorine monofluoride
ClF+ clorine monofluoride cation +1 Chlorine monofluoride
ClO- chlorine monoxide anion -1 Monochlorine monoxide
ClO+ chlorine monoxide cation +1 Monochlorine monoxide
ClO3- chlorate anion -1
ClO4- perchlorate anion -1
ClOO+ chloroperoxy cation +1 chloroperoxy radical
CN- cyanide anion -1 Cyano radical
CN+ Cyano cation +1 Cyano radical
CNH2+ CNH2+ +1 CNH2
CNO- fulminate -1
CO- carbon monoxide anion -1 Carbon monoxide
CO+ carbon monoxide cation +1 Carbon monoxide
CO2- Carbon dioxide anion -1 Carbon dioxide
CO2+ Carbon dioxide cation +1 Carbon dioxide
CO3-2 carbonate -2
CP- carbon monophosphide anion -1 Carbon monophosphide
CP+ carbon monophosphide cation +1 Carbon monophosphide
CS- carbon monosulfide anion -1 carbon monosulfide
CS+ carbon monosulfide cation +1 carbon monosulfide
CS2- Carbon disulfide anion -1 Carbon disulfide
CS2+ Carbon disulfide cation +1 Carbon disulfide
CSe- Carbon monoselenide anion -1 Carbon monoselenide
CSe+ Carbon monoselenide cation +1 Carbon monoselenide
Cu- Copper atom anion -1 Copper atom
Cu+ Copper atom cation +1 Copper atom
D- Deuterium atom anion -1 Deuterium atom
D+ Deuterium atom cation +1 Deuterium atom
F- Fluorine atom anion -1 Fluorine atom
F+ Fluorine atom cation +1 Fluorine atom
F2- flourine diatomic anion -1 Fluorine diatomic
F2+ flourine diatomic cation +1 Fluorine diatomic
F3- trifluoride anion -1
FHF- FHF- -1 FHF
FO- flourine oxide anion -1 Oxygen monofluoride
FO+ fluorine monoxide cation +1 Oxygen monofluoride
Ga- Gallium atom anion -1 Gallium atom
Ga+ Gallium atom cation +1 Gallium atom
Ge- Germanium anion -1 Germanium atom
Ge+ Germanium cation +1 Germanium atom
GeH2- germylene anion -1 germylene
GeH3+ germyl cation +1 Germyl radical
H- Hydrogen atom anion -1 Hydrogen atom
H+ Hydrogen atom cation +1 Hydrogen atom
H2- hydrogen diatomic anion -1 Hydrogen diatomic
H2+ Hydrogen cation +1 Hydrogen diatomic
H2Cl+ dihydrogen monochloride cation +1
H2CN+ H2CN+ +1 H2CN
H2CO- formaldehyde anion -1 Formaldehyde
H2CO+ formaldehyde cation +1 Formaldehyde
H2CONH2+ protonated formamide +1
H2F+ dihydrogen fluoride cation +1
H2NO3+ Nitric Acid, Protonated +1
H2O- water anion -1 Water
H2O+ water cation +1 Water
H2O2+ Hydrogen peroxide cation +1 Hydrogen peroxide
H2S- Hydrogen sulfide anion -1 Hydrogen sulfide
H2S+ Hydrogen sulfide cation +1 Hydrogen sulfide
H2Se+ Hydrogen selenide cation +1 Hydrogen selenide
H3+ hydrogen trimer cation +1
H3CO3+ carbonic acid, protonated +1
H3O+ hydronium +1
H3O2+ hydrogen peroxide, protonated +1
H3S+ H3S+ +1
HBr- hydrogen bromide anion -1 hydrogen bromide
HBr+ hydrogen bromide cation +1 hydrogen bromide
HCCCN+ Cyanoacetylene cation +1 Cyanoacetylene
HCCF+ fluoroacetylene cation +1 Fluoroacetylene
HCl- hydrogen chloride anion -1 Hydrogen chloride
HCl+ hydrogen chloride cation +1 Hydrogen chloride
HCN- Hydrogen cyanide anion -1 Hydrogen cyanide
HCN+ hydrogen cyanide cation +1 Hydrogen cyanide
HCNH+ HCNH+ +1 HCNH
HCO- formyl anion -1 Formyl radical
HCO+ Formyl cation +1 Formyl radical
HCO2- formate anion -1
HCO3- bicarbonate anion -1
HCS- Thioformyl anion -1 Thioformyl radical
HCS+ Thioformyl cation +1 Thioformyl radical
He- Helium atom anion -1 Helium atom
He+ Helium atom cation +1 Helium atom
He2+ helium dimer cation +1
HeH+ Helium hydride cation +1 Helium hydride
HF- hydrogen fluoride anion -1 Hydrogen fluoride
HF+ hydrogen fluoride cation +1 Hydrogen fluoride
HNO- Nitrosyl hydride anion -1 Nitrosyl hydride
HNO+ Nitrosyl hydride cation +1 Nitrosyl hydride
HNO2+ nitrous acid cation +1 Nitrous acid
HNS- HNS- -1 HNS
HO2- Hydroperoxy anion -1 Hydroperoxy radical
HO2+ Hydroperoxy cation +1 Hydroperoxy radical
HOBr+ Hypobromous acid cation +1 Hypobromous acid
HOCO+ Hydrocarboxyl cation +1 Hydrocarboxyl radical
HPO+ HPO cation +1 HPO
HSe- selenium monohydride anion -1 Selenium monohydride
HSe+ selenium monohydride cation +1 Selenium monohydride
HSO4- bisulfate anion -1
I- Iodine atom anion -1 Iodine atom
I+ Iodine atom cation +1 Iodine atom
K- Potassium atom anion -1 Potassium atom
K+ Potassium atom cation +1 Potassium atom
KH+ Potassium hydrogen cation +1 Potassium hydride
Li- Lithium atom anion -1 Lithium atom
Li+ Lithium atom cation +1 Lithium atom
Li2- lithium dimer anion -1 Lithium diatomic
Li2+ lithium diatomic cation +1 Lithium diatomic
Li2O+ dilithium oxide cation +1 dilithium oxide
LiBr- lithium bromide cation -1 Lithium Bromide
LiBr+ lithium bromide anion +1 Lithium Bromide
LiCl- lithium chloride anion -1 lithium chloride
LiCl+ lithium chloride cation +1 lithium chloride
LiF- lithium fluoride anion -1 lithium fluoride
LiF+ lithium fluoride cation +1 lithium fluoride
LiH- lithium hydride anion -1 Lithium Hydride
LiH+ lithium hydride cation +1 Lithium Hydride
LiN+ Lithium Nitride cation +1 Lithium Nitride
LiO- lithium oxide anion -1 lithium oxide
LiO+ lithium oxide cation +1 lithium oxide
Mg- Magnesium atom anion -1 Magnesium atom
Mg+ Magnesium atom cation +1 Magnesium atom
Mg2- magnesium dimer anion -1 Magnesium diatomic
Mg2+ magnesium dimer cation +1 Magnesium diatomic
MgCl- magnesium monochloride anion -1 magnesium monochloride
MgCl+ magnesium monochloride cation +1 magnesium monochloride
MgF- magnesium fluoride anion -1 Magnesium monofluoride
MgF+ magnesium fluoride cation +1 Magnesium monofluoride
MgH- magnesium monohydride anion -1 magnesium monohydride
MgH+ magnesium monohydride cation +1 magnesium monohydride
MgO- magnesium oxide anion -1 magnesium oxide
MgO+ magnesium oxide cation +1 magnesium oxide
MgS- magnesium sulfide anion -1 magnesium sulfide
MgS+ magnesium sulfide cation +1 magnesium sulfide
N- Nitrogen atom anion -1 Nitrogen atom
N+ Nitrogen atom cation +1 Nitrogen atom
N2- nitrogen diatomic anion -1 Nitrogen diatomic
N2+ diatomic nitrogen cation +1 Nitrogen diatomic
N2O- Nitrous oxide anion -1 Nitrous oxide
N2O+ Nitrous oxide cation +1 Nitrous oxide
N3- azide anion -1 azide radical
Na- Sodium atom anion -1 Sodium atom
Na+ Sodium atom cation +1 Sodium atom
Na2- sodium dimer anion -1 Sodium diatomic
Na2+ sodium dimer cation +1 Sodium diatomic
NaBr- sodium bromide anion -1 Sodium Bromide
NaBr+ sodium bromide cation +1 Sodium Bromide
NaCl- sodium chloride anion -1 Sodium Chloride
NaCl+ sodium chloride cation +1 Sodium Chloride
NaF- sodium fluoride anion -1 sodium fluoride
NaF+ sodium fluoride cation +1 sodium fluoride
NaH- sodium hydride anion -1 sodium hydride
NaH+ sodium hydride cation +1 sodium hydride
NaLi- lithium sodium anion -1 lithium sodium
NaLi+ lithium sodium cation +1 lithium sodium
NaO- sodium oxide anion -1 sodium monoxide
NaO+ sodium oxide cation +1 sodium monoxide
NC4H12+ tetramethyl ammonium cation +1
NCl- nitrogen monochloride anion -1 nitrogen monochloride
NCl+ nitrogen monochloride cation +1 nitrogen monochloride
NCO- cyanate -1 isocyanato radical
Ne- Neon atom anion -1 Neon atom
Ne+ Neon atom cation +1 Neon atom
Ne2+ Neon dimer cation +1 Neon dimer
NeH+ neon hydrogen cation +1 neon hydrogen
NF- nitrogen monofluorine anion -1 nitrogen fluoride
NF+ nitrogen monofluoirde cation +1 nitrogen fluoride
NF2+ Difluoroamino cation +1 Difluoroamino radical
NF3- Nitrogen trifluoride anion -1 Nitrogen trifluoride
NF3+ Nitrogen trifluoride cation +1 Nitrogen trifluoride
NH- Imidogen anion -1 Imidogen
NH+ imidogen cation +1 Imidogen
NH2- amino anion -1 Amino radical
NH2+ Amino cation +1 Amino radical
NH2CONH2+ Urea cation +1 Urea
NH3+ ammonia cation +1 Ammonia
NH4+ ammonium cation +1
NNH+ Dinitrogen monohydride cation +1 Dinitrogen monohydride
NO- nitric oxide anion -1 Nitric oxide
NO+ nitric oxide cation +1 Nitric oxide
NO2- Nitrogen dioxide anion -1 Nitrogen dioxide
NO2+ Nitrogen dioxide cation +1 Nitrogen dioxide
NO3- nitrate anion -1 Nitrogen trioxide
NO3+ nitrogen trioxide cation +1 Nitrogen trioxide
NS- nitrogen sulfide anion -1 Mononitrogen monosulfide
NS+ nitrogen sulfide cation +1 Mononitrogen monosulfide
O- Oxygen atom anion -1 Oxygen atom
O+ Oxygen atom cation +1 Oxygen atom
O2- oxygen diatomic anion -1 Oxygen diatomic
O2+ diatomic oxygen cation +1 Oxygen diatomic
O3- Ozone anion -1 Ozone
O3+ Ozone cation +1 Ozone
OClO- Chlorine dioxide anion -1 Chlorine dioxide
OClO+ Chlorine dioxide cation +1 Chlorine dioxide
OCS+ Carbonyl sulfide cation +1 Carbonyl sulfide
OH- hydroxide anion -1 Hydroxyl radical
OH+ hydoxyl cation +1 Hydroxyl radical
P- Phosphorus atom anion -1 Phosphorus atom
P+ Phosphorus atom cation +1 Phosphorus atom
P2- phosphorus dimer anion -1 Phosphorus diatomic
P2+ phosphorus dimer cation +1 Phosphorus diatomic
PCl- phosphorus monochloride anion -1 phosphorus chloride
PCl+ phosphorus monochloride cation +1 phosphorus chloride
PF- phosphorus monofluoride anion -1 phosphorus monofluoride
PF+ phosphorus monofluoride cation +1 phosphorus monofluoride
PH- phosphorus monohydride anion -1 phosphorus monohydride
PH+ phosphorus monohydride cation +1 phosphorus monohydride
PH2- Phosphino anion -1 Phosphino radical
PH2+ Phosphino cation +1 Phosphino radical
PH3+ Phosphine cation +1 Phosphine
PH4+ phosphonium cation +1
PN- phosphorus nitride anion -1 Phosphorus mononitride
PN+ phosphorus nitride cation +1 Phosphorus mononitride
PO- phosphorus monoxide anion -1 Phosphorus monoxide
PO+ phosphorus monoxide cation +1 Phosphorus monoxide
PO2- Phosphorus dioxide anion -1 Phosphorus dioxide
PO2+ Phosphorus dioxide cation +1 Phosphorus dioxide
PO4-3 phosphate -3
PS- phosphorus monosulfide anion -1 phosphorus sulfide
PS+ phosphorus monosulfide cation +1 phosphorus sulfide
S- Sulfur atom anion -1 Sulfur atom
S+ Sulfur atom cation +1 Sulfur atom
S2- sulfur dimer anion -1 Sulfur diatomic
S2+ sulfur dimer cation +1 Sulfur diatomic
S3- Sulfur trimer anion -1 Sulfur trimer
SCl- sulfur monochloride anion -1 sulfur monochloride
SCl+ sulfur monochloride cation +1 sulfur monochloride
SCN- thiocyanide anion -1 thiocyanato radical
Se- Selenium atom anion -1 Selenium atom
Se+ Selenium atom cation +1 Selenium atom
Se2- selenium dimer anion -1 Selenium diatomic
Se2+ selenium dimer cation +1 Selenium diatomic
SeO- selenium monoxide anion -1 Selenium monoxide
SeO+ selenium monoxide cation +1 Selenium monoxide
SeS- selenium monosulfide anion -1 Selenium monosulfide
SeS+ selenium monosulfide cation +1 Selenium monosulfide
SF- sulfur monofluoride anion -1 Monosulfur monofluoride
SF+ sulfur monofluoride cation +1 Monosulfur monofluoride
SF2- sulfur difluoride anion -1 sulfur difluoride
SF2+ sulfur difluoride cation +1 sulfur difluoride
SH- mercapto anion -1 Mercapto radical
SH+ sulfur monohydride cation +1 Mercapto radical
Si- Silicon atom anion -1 Silicon atom
Si+ Silicon atom cation +1 Silicon atom
Si2- silcon dimer anion -1 Silicon diatomic
Si2+ silcon dimer cation +1 Silicon diatomic
SiC- silicon monocarbide anion -1 silicon monocarbide
SiC+ silicon monocarbide cation +1 silicon monocarbide
SiCl- silicon monochloride anion -1 Clorosilylidyne
SiCl+ silicon monochloride cation +1 Clorosilylidyne
SiCl3+ trichlorosilyl cation +1 trichlorosilyl radical
SiF- silicon monofluoride anion -1 silicon monofluoride
SiF+ silicon monofluoride cation +1 silicon monofluoride
SiH- silicon monohydride anion -1 Silylidyne
SiH+ silicon monohydride cation +1 Silylidyne
SiH2- silicon dihydride anion -1 silicon dihydride
SiH2+ silicon dihydride cation +1 silicon dihydride
SiH3- Silyl anion -1 Silyl radical
SiH3+ Silyl cation +1 Silyl radical
SiH4+ Silane cation +1 Silane
SiN- silicon mononitride anion -1 Silicon nitride
SiN+ silicon mononitride cation +1 Silicon nitride
SiO- silicon monoxide anion -1 Silicon monoxide
SiO+ silicon monoxide cation +1 Silicon monoxide
SiP- Silicon monophosphide anion -1 Silicon monophosphide
SiP+ Silicon monophosphide cation +1 Silicon monophosphide
SiS- silicon monosulfide anion -1 silicon monosulfide
SiS+ silicon monosulfide cation +1 silicon monosulfide
SO- sulfur monoxide anion -1 Sulfur monoxide
SO+ sulfur monoxide cation +1 Sulfur monoxide
SO2- Sulfur dioxide anion -1 Sulfur dioxide
SO2+ Sulfur dioxide cation +1 Sulfur dioxide
SO3- Sulfur trioxide anion -1 Sulfur trioxide
SO3+ Sulfur trioxide cation +1 Sulfur trioxide
SO4-2 sulfate -2
Ti- Titanium atom anion -1 Titanium atom
Ti+ Titanium atom cation +1 Titanium atom
Zn- Zinc atom anion -1 Zinc atom
Zn+ Zinc atom cation +1 Zinc atom
ZnF- Zinc monofluoride anion -1 Zinc monofluoride
ZnF+ Zinc monofluoride cation +1 Zinc monofluoride