Species |
Name |
Bond Length (Å) |
Atom1 index |
Atom2 index |
CO- |
carbon monoxide anion |
1.194 |
1 |
2 |
CO |
Carbon monoxide |
1.147 |
1 |
2 |
CO+ |
carbon monoxide cation |
1.101 |
1 |
2 |
HCO- |
formyl anion |
1.252 |
1 |
3 |
COH+ |
Carbon Monoxide, protonated |
1.169 |
1 |
2 |
H2CO- |
formaldehyde anion |
1.286 |
1 |
2 |
H2CO |
Formaldehyde |
1.217 |
1 |
2 |
H2CO+ |
formaldehyde cation |
1.202 |
1 |
2 |
HOCH |
hydroxycarbene |
1.323 |
1 |
2 |
CH3O- |
methoxy anion |
1.356 |
1 |
2 |
CH3O+ |
Methoxy cation |
1.305 |
1 |
2 |
CH2OH |
Hydroxymethyl radical |
1.372 |
1 |
2 |
CH2OH+ |
hydroxymethyl cation |
1.256 |
1 |
2 |
CH3OH- |
Methyl alcohol anion |
1.429 |
1 |
2 |
CH3OH |
Methyl alcohol |
1.429 |
1 |
2 |
CH3OH+ |
Methyl alcohol cation |
1.376 |
1 |
2 |
CO2 |
Carbon dioxide |
1.177 |
1 |
2 |
|
|
1.177 |
1 |
3 |
CO2+ |
Carbon dioxide cation |
1.239 |
1 |
2 |
|
|
1.126 |
1 |
3 |
CCO |
Dicarbon monoxide |
1.168 |
2 |
3 |
NCO |
isocyanato radical |
1.169 |
2 |
3 |
OCS |
Carbonyl sulfide |
1.177 |
1 |
2 |
OCSe |
Carbonyl selenide |
1.177 |
1 |
2 |
FCO |
Carbonyl fluoride |
1.178 |
2 |
3 |
FCO+ |
Carbonyl fluoride cation |
1.138 |
2 |
3 |
ClCO |
carbonyl monochloride |
1.172 |
2 |
3 |
HCOO |
formate neutral radical |
1.210 |
1 |
3 |
|
|
1.333 |
1 |
4 |
HCCO |
ketenyl radical |
1.172 |
1 |
3 |
HFCO+ |
formyl fluoride cation |
1.253 |
1 |
2 |
HCOOH |
Formic acid |
1.353 |
1 |
2 |
|
|
1.210 |
1 |
3 |
C2H2O |
Oxirene |
1.512 |
1 |
2 |
|
|
1.512 |
1 |
3 |
CH2CO |
Ketene |
1.176 |
2 |
3 |
H2COO |
Dioxymethyl radical |
2.256 |
2 |
5 |
|
|
1.302 |
1 |
2 |
CHONH2 |
formamide |
1.223 |
1 |
2 |
CNOH3 |
1,2-oxaziridine |
1.409 |
1 |
3 |
HOCHNH |
hydroxymethylimine |
1.352 |
1 |
2 |
BH3CO |
Borane carbonyl |
1.145 |
2 |
3 |
CH2COH+ |
ketene, protonated |
1.233 |
2 |
3 |
NaOCH3 |
Sodium methoxide |
1.386 |
2 |
3 |
CH2FOH |
fluoromethanol |
1.384 |
1 |
3 |
CH3CHO |
Acetaldehyde |
1.219 |
1 |
3 |
CH3CHO+ |
acetaldehyde cation |
1.209 |
1 |
3 |
C2H4O |
Ethylene oxide |
1.443 |
1 |
2 |
|
|
1.443 |
1 |
3 |
C2H4O+ |
ethylene oxide cation |
1.495 |
1 |
2 |
|
|
1.495 |
1 |
3 |
CH2(OH)2 |
methanediol |
1.411 |
1 |
2 |
|
|
1.411 |
1 |
3 |
H2CONH2+ |
protonated formamide |
1.292 |
1 |
2 |
NH2CHOH+ |
Formamide, O-protonated |
1.292 |
1 |
2 |
CH3CHOH |
1-hydroxy-ethyl radical |
1.381 |
1 |
3 |
CH3CHOH+ |
acetaldehyde, protonated |
1.271 |
1 |
3 |
C3O |
Tricarbon monoxide |
1.171 |
3 |
4 |
CF2O+ |
Carbonic difluoride cation |
1.277 |
1 |
2 |
C3H2O |
Propadienal |
1.183 |
3 |
4 |
HOCH2CN |
cyanomethanol |
1.418 |
1 |
3 |
NH2COOH |
Carbamic acid |
1.218 |
1 |
2 |
|
|
1.367 |
1 |
4 |
CH3NCO |
methylisocyante |
1.188 |
3 |
4 |
NH2CONH2 |
Urea |
1.223 |
1 |
2 |
NH3COOH+ |
protonated Carbamic acid |
1.187 |
1 |
2 |
|
|
1.318 |
1 |
4 |
NH2COOH2+ |
Carbamic acid, O-protonated |
1.303 |
1 |
2 |
|
|
1.297 |
1 |
4 |
CH5N2O+ |
urea, N-protonated |
1.194 |
1 |
2 |
CH3C(OH)=NH |
Ethaninidic acid |
1.361 |
1 |
4 |
H2NCOHNH2+ |
urea, protonated |
1.314 |
1 |
2 |
CH2FCH2OH |
2-fluoroethanol |
1.423 |
1 |
3 |
CH2ClCH2OH |
2-Chloroethanol |
1.430 |
1 |
4 |
C3H6O |
Oxetane |
1.457 |
1 |
3 |
|
|
1.457 |
1 |
4 |
CH2ClCH2OH2+ |
2-chloroethanol, protonated |
1.551 |
1 |
4 |
C3O2 |
Carbon suboxide |
1.181 |
2 |
4 |
|
|
1.181 |
3 |
5 |
BeCO3 |
Beryllium Carbonate |
1.194 |
1 |
2 |
|
|
1.406 |
1 |
4 |
|
|
1.406 |
1 |
5 |
MgCO3 |
Magnesium Carbonate |
1.212 |
1 |
2 |
|
|
1.383 |
1 |
4 |
|
|
1.383 |
1 |
5 |
CHOOCHO |
diformyl ether |
1.198 |
2 |
4 |
|
|
1.198 |
3 |
5 |
|
|
1.384 |
1 |
2 |
|
|
1.384 |
1 |
3 |
C3H3NO |
Oxazole |
1.363 |
1 |
2 |
|
|
1.376 |
1 |
5 |
CH3COCCH |
3-butyn-2-one |
1.225 |
2 |
3 |
C2H4O3 |
1,2,3-trioxolane |
1.431 |
2 |
4 |
|
|
1.431 |
3 |
5 |
Na2CO3 |
Sodium Carbonate |
1.363 |
1 |
2 |
|
|
1.284 |
1 |
3 |
|
|
1.284 |
1 |
4 |
C3H6O3 |
1,3,5-Trioxane |
1.414 |
1 |
4 |
|
|
1.414 |
1 |
5 |
|
|
1.414 |
2 |
4 |
|
|
1.414 |
2 |
6 |
|
|
1.414 |
3 |
5 |
|
|
1.414 |
3 |
6 |