Species |
Name |
Bond Length (Å) |
Atom1 index |
Atom2 index |
CO- |
carbon monoxide anion |
1.262 |
1 |
2 |
CO |
Carbon monoxide |
1.147 |
1 |
2 |
CO+ |
carbon monoxide cation |
1.112 |
1 |
2 |
HCO- |
formyl anion |
1.263 |
1 |
3 |
COH+ |
Carbon Monoxide, protonated |
1.180 |
1 |
2 |
H2CO- |
formaldehyde anion |
1.339 |
1 |
2 |
H2CO |
Formaldehyde |
1.235 |
1 |
2 |
H2CO+ |
formaldehyde cation |
1.238 |
1 |
2 |
CH3O- |
methoxy anion |
1.351 |
1 |
2 |
CH3O+ |
Methoxy cation |
1.482 |
1 |
2 |
CH2OH+ |
hydroxymethyl cation |
1.269 |
1 |
2 |
NCO |
isocyanato radical |
1.195 |
2 |
3 |
OCS |
Carbonyl sulfide |
1.164 |
1 |
2 |
OCSe |
Carbonyl selenide |
1.164 |
1 |
2 |
HOCO |
Hydrocarboxyl radical |
1.384 |
1 |
2 |
|
|
1.196 |
1 |
3 |
HCCO |
ketenyl radical |
1.203 |
1 |
3 |
HCOOH |
Formic acid |
1.379 |
1 |
2 |
|
|
1.220 |
1 |
3 |
C2H2O |
Oxirene |
1.591 |
1 |
2 |
|
|
1.591 |
1 |
3 |
CH2CO |
Ketene |
1.184 |
2 |
3 |
H2COO |
Dioxymethyl radical |
2.326 |
2 |
5 |
|
|
1.258 |
1 |
2 |
H2COO+ |
dioxymethyl cation |
2.342 |
2 |
5 |
|
|
1.271 |
1 |
2 |
CNOH3 |
1,2-oxaziridine |
1.482 |
1 |
3 |
HOCHNH |
hydroxymethylimine |
1.396 |
1 |
2 |
BH3CO |
Borane carbonyl |
1.142 |
2 |
3 |
CH2COH+ |
ketene, protonated |
1.242 |
2 |
3 |
CH2FOH |
fluoromethanol |
1.421 |
1 |
3 |
CH3CHO |
Acetaldehyde |
1.234 |
1 |
3 |
CH3CHO+ |
acetaldehyde cation |
1.246 |
1 |
3 |
C2H4O |
Ethylene oxide |
1.505 |
1 |
2 |
|
|
1.505 |
1 |
3 |
C2H4O+ |
ethylene oxide cation |
1.611 |
1 |
2 |
|
|
1.611 |
1 |
3 |
NH2CHOH+ |
Formamide, O-protonated |
1.315 |
1 |
2 |
CH3CHOH |
1-hydroxy-ethyl radical |
1.415 |
1 |
3 |
CH3CHOH+ |
acetaldehyde, protonated |
1.282 |
1 |
3 |
NH2CH2OH |
aminomethanol |
1.469 |
2 |
3 |
C3O |
Tricarbon monoxide |
1.165 |
3 |
4 |
CF2O+ |
Carbonic difluoride cation |
1.301 |
1 |
2 |
C3H2O |
Propadienal |
1.195 |
3 |
4 |
HOCH2CN |
cyanomethanol |
1.462 |
1 |
3 |
CH3NCO |
methylisocyante |
1.197 |
3 |
4 |
NH2CONH2 |
Urea |
1.238 |
1 |
2 |
NH3COOH+ |
protonated Carbamic acid |
1.195 |
1 |
2 |
|
|
1.338 |
1 |
4 |
NH2COOH2+ |
Carbamic acid, O-protonated |
1.325 |
1 |
2 |
|
|
1.317 |
1 |
4 |
HCONHCH3 |
N-methylformamide |
1.238 |
1 |
2 |
CH5N2O+ |
urea, N-protonated |
1.201 |
1 |
2 |
CH3C(OH)=NH |
Ethaninidic acid |
1.394 |
1 |
4 |
H2NCOHNH2+ |
urea, protonated |
1.342 |
1 |
2 |
CH2ClCH2OH |
2-Chloroethanol |
1.467 |
1 |
4 |
CH3CH2CHO |
Propanal |
1.235 |
3 |
4 |
C3H5OH |
Cyclopropanol |
1.441 |
1 |
4 |
C3H6O |
Acetone enol |
1.406 |
2 |
4 |
CH2ClCH2OH2+ |
2-chloroethanol, protonated |
1.559 |
1 |
4 |
C3O2 |
Carbon suboxide |
1.179 |
2 |
4 |
|
|
1.179 |
3 |
5 |
BeCO3 |
Beryllium Carbonate |
1.196 |
1 |
2 |
|
|
1.453 |
1 |
4 |
|
|
1.453 |
1 |
5 |
MgCO3 |
Magnesium Carbonate |
1.213 |
1 |
2 |
|
|
1.421 |
1 |
4 |
|
|
1.421 |
1 |
5 |
CHOOCHO |
diformyl ether |
1.209 |
2 |
4 |
|
|
1.209 |
3 |
5 |
|
|
1.402 |
1 |
2 |
|
|
1.402 |
1 |
3 |
CH3COCCH |
3-butyn-2-one |
1.237 |
2 |
3 |
CH3OCH2CN |
Methoxyacetonitrile |
1.470 |
1 |
2 |
|
|
1.456 |
2 |
3 |
HCOOC2H5 |
Ethyl formate |
1.485 |
2 |
3 |
|
|
1.222 |
4 |
5 |
|
|
1.373 |
3 |
4 |
C4H10O |
Methyl propyl ether |
1.460 |
1 |
2 |
|
|
1.461 |
2 |
3 |
ClCOClCO |
Oxalyl chloride |
1.197 |
1 |
3 |
|
|
1.197 |
2 |
4 |
C2H2O4 |
Oxalic Acid |
1.355 |
1 |
3 |
|
|
1.224 |
1 |
5 |
|
|
1.355 |
2 |
4 |
|
|
1.224 |
2 |
6 |
C3H2O3 |
vinylene carbonate |
1.199 |
1 |
2 |
|
|
1.413 |
1 |
3 |
|
|
1.413 |
1 |
4 |
|
|
1.429 |
3 |
5 |
|
|
1.429 |
4 |
6 |
C4H3ClO |
Furan, 2-chloro |
1.391 |
1 |
5 |
|
|
1.416 |
4 |
5 |
C4H6O2 |
γ–Butyrolactone |
1.404 |
1 |
5 |
|
|
1.214 |
1 |
6 |
|
|
1.481 |
4 |
5 |
C3H6O3 |
1,3,5-Trioxane |
1.454 |
1 |
4 |
|
|
1.454 |
1 |
5 |
|
|
1.454 |
2 |
4 |
|
|
1.454 |
2 |
6 |
|
|
1.454 |
3 |
5 |
|
|
1.454 |
3 |
6 |
C5H6O |
Pentadienal |
1.237 |
1 |
2 |
NH(CH3)CONH(CH3) |
Urea, N,N'-dimethyl- |
1.245 |
1 |
2 |
C4H8O2 |
Butanoic acid |
1.391 |
1 |
5 |
|
|
1.222 |
1 |
6 |
C5H10O |
3-Pentanone |
1.236 |
1 |
2 |
CF3COF |
trifluoroacetyl fluoride |
1.197 |
2 |
3 |
CF3COO- |
trifluoro acetate anion |
1.259 |
2 |
6 |
|
|
1.263 |
2 |
7 |
C6H12O |
Oxepane |
1.461 |
1 |
2 |
|
|
1.470 |
1 |
7 |