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Calculated Electron Affinities

Caution! Results of electron affinity calculations are very dependent on the basis set. Many species have anions that are not bound with respect to a free electron and the neutral species, in which case the calculations may give results that are not meaningful. By convention a positive electron affinity indicates a bound species.

Species with calculations for anions and neutrals

Species Name
H Hydrogen atom
D Deuterium atom
He Helium atom
Li Lithium atom
Be Beryllium atom
B Boron atom
C Carbon atom
N Nitrogen atom
O Oxygen atom
F Fluorine atom
Ne Neon atom
Na Sodium atom
Mg Magnesium atom
Al Aluminum atom
Si Silicon atom
P Phosphorus atom
S Sulfur atom
Cl Chlorine atom
Ar Argon atom
K Potassium atom
Ca Calcium atom
Ti Titanium atom
Cu Copper atom
Zn Zinc atom
Ga Gallium atom
Ge Germanium atom
As Arsenic atomic
Se Selenium atom
Br Bromine atom
I Iodine atom
H2 Hydrogen diatomic
LiH Lithium Hydride
Li2 Lithium diatomic
BeH beryllium monohydride
Be2 Beryllium diatomic
BH Boron monohydride
B2 Boron diatomic
CH Methylidyne
BC boron monocarbide
C2 Carbon diatomic
NH Imidogen
BeN Beryllium mononitride
BN boron nitride
CN Cyano radical
N2 Nitrogen diatomic
LiO lithium oxide
OH Hydroxyl radical
BeO beryllium oxide
BO boron monoxide
CO Carbon monoxide
NO Nitric oxide
O2 Oxygen diatomic
HF Hydrogen fluoride
LiF lithium fluoride
BeF Beryllium monofluoride
BF Boron monofluoride
CF Fluoromethylidyne
NF nitrogen fluoride
FO Oxygen monofluoride
F2 Fluorine diatomic
NaLi lithium sodium
NaH sodium hydride
Na2 Sodium diatomic
NaO sodium monoxide
NaF sodium fluoride
MgH magnesium monohydride
Mg2 Magnesium diatomic
MgO magnesium oxide
MgF Magnesium monofluoride
AlH aluminum monohydride
Al2 Aluminum diatomic
AlN Aluminum nitride
AlO Aluminum monoxide
AlF Aluminum monofluoride
SiH Silylidyne
Si2 Silicon diatomic
SiC silicon monocarbide
SiN Silicon nitride
SiO Silicon monoxide
SiF silicon monofluoride
PH phosphorus monohydride
CP Carbon monophosphide
SiP Silicon monophosphide
P2 Phosphorus diatomic
PN Phosphorus mononitride
PO Phosphorus monoxide
PF phosphorus monofluoride
HS Mercapto radical
BeS beryllium sulfide
MgS magnesium sulfide
BS boron sulfide
AlS Aluminum sulfide
SiS silicon monosulfide
CS carbon monosulfide
PS phosphorus sulfide
NS Mononitrogen monosulfide
SO Sulfur monoxide
S2 Sulfur diatomic
SF Monosulfur monofluoride
HCl Hydrogen chloride
NaCl Sodium Chloride
LiCl lithium chloride
BeCl beryllium monochloride
MgCl magnesium monochloride
BCl boron monochloride
AlCl Aluminum monochloride
CCl carbon monochloride
SiCl Clorosilylidyne
PCl phosphorus chloride
NCl nitrogen monochloride
ClO Monochlorine monoxide
SCl sulfur monochloride
ClF Chlorine monofluoride
Cl2 Chlorine diatomic
ZnF Zinc monofluoride
HSe Selenium monohydride
CSe Carbon monoselenide
SeO Selenium monoxide
Se2 Selenium diatomic
SeS Selenium monosulfide
LiBr Lithium Bromide
NaBr Sodium Bromide
HBr hydrogen bromide
BrO Bromine monoxide
BrCl Bromine monochloride
BrF Bromine monofluoride
Br2 Bromine diatomic
BH2 boron dihydride
CH2 Methylene
C2H Ethynyl radical
NH2 Amino radical
HCN Hydrogen cyanide
N3 azide radical
H2O Water
HCO Formyl radical
HNO Nitrosyl hydride
HO2 Hydroperoxy radical
BO2 Boron dioxide
NCO isocyanato radical
N2O Nitrous oxide
CO2 Carbon dioxide
NO2 Nitrogen dioxide
O3 Ozone
FHF Hydrogen difluoride
CF2 Difluoromethylene
AlH2 aluminum dihydride
SiH2 silicon dihydride
PH2 Phosphino radical
PO2 Phosphorus dioxide
H2S Hydrogen sulfide
HCS Thioformyl radical
HNS Sulfur imide
SCN thiocyanato radical
CS2 Carbon disulfide
SO2 Sulfur dioxide
S3 Sulfur trimer
SF2 sulfur difluoride
CCl2 dichloromethylene
OClO Chlorine dioxide
GeH2 germylene
BH3 boron trihydride
CH3 Methyl radical
CCH2 vinylidene
C2H2 Acetylene
NH3 Ammonia
H2CO Formaldehyde
NO3 Nitrogen trioxide
BF3 Borane, trifluoro-
CF3 Trifluoromethyl radical
NF3 Nitrogen trifluoride
AlH3 aluminum trihydride
SiH3 Silyl radical
H2CS Thioformaldehyde
SO3 Sulfur trioxide
CCl3 Trichloromethyl radical
BH4 borohydride
CH4 Methane
C2H3 vinyl
CH3O Methoxy radical
C2H4 Ethylene
C3H3 Propargyl radical
CH3CN Acetonitrile
CH3OH Methyl alcohol
CH3CO Acetyl radical
CH3OO methylperoxy radical
C2H5 Ethyl radical
PF6 Hexafluorophosphate neutral
C3H3N2 imidazolyl radical
C4H4N pyrrolide radical
C6N4 Tetracyanoethylene
CH3COCH3 Acetone
C6H5 phenyl