Species |
Name |
Bond Length (Å) |
Atom1 index |
Atom2 index |
CO- |
carbon monoxide anion |
1.229 |
1 |
2 |
CO |
Carbon monoxide |
1.134 |
1 |
2 |
HCO- |
formyl anion |
1.239 |
1 |
3 |
HCO |
Formyl radical |
1.181 |
1 |
3 |
HCO+ |
Formyl cation |
1.111 |
1 |
3 |
COH+ |
Carbon Monoxide, protonated |
1.159 |
1 |
2 |
H2CO- |
formaldehyde anion |
1.299 |
1 |
2 |
H2CO+ |
formaldehyde cation |
1.197 |
1 |
2 |
CH3O- |
methoxy anion |
1.320 |
1 |
2 |
CH3O+ |
Methoxy cation |
1.313 |
1 |
2 |
CH2OH |
Hydroxymethyl radical |
1.366 |
1 |
2 |
CH2OH+ |
hydroxymethyl cation |
1.249 |
1 |
2 |
CH3OH- |
Methyl alcohol anion |
1.410 |
1 |
2 |
CH3OH+ |
Methyl alcohol cation |
1.381 |
1 |
2 |
CCO |
Dicarbon monoxide |
1.163 |
2 |
3 |
NCO |
isocyanato radical |
1.180 |
2 |
3 |
OCS |
Carbonyl sulfide |
1.160 |
1 |
2 |
OCSe |
Carbonyl selenide |
1.157 |
1 |
2 |
FCO |
Carbonyl fluoride |
1.172 |
2 |
3 |
FCO+ |
Carbonyl fluoride cation |
1.122 |
2 |
3 |
ClCO |
carbonyl monochloride |
1.162 |
2 |
3 |
HCCO |
ketenyl radical |
1.175 |
1 |
3 |
HFCO+ |
formyl fluoride cation |
1.244 |
1 |
2 |
HCOOH |
Formic acid |
1.344 |
1 |
2 |
|
|
1.200 |
1 |
3 |
C2H2O |
Oxirene |
1.498 |
1 |
2 |
|
|
1.498 |
1 |
3 |
CH2CO |
Ketene |
1.165 |
2 |
3 |
H2COO |
Dioxymethyl radical |
2.245 |
2 |
5 |
|
|
1.275 |
1 |
2 |
H2COO+ |
dioxymethyl cation |
2.250 |
2 |
5 |
|
|
1.257 |
1 |
2 |
CNOH3 |
1,2-oxaziridine |
1.396 |
1 |
3 |
HOCHNH |
hydroxymethylimine |
1.353 |
1 |
2 |
BH3CO |
Borane carbonyl |
1.131 |
2 |
3 |
CH2COH+ |
ketene, protonated |
1.228 |
2 |
3 |
CH2FOH |
fluoromethanol |
1.377 |
1 |
3 |
CH3CHO |
Acetaldehyde |
1.209 |
1 |
3 |
C2H4O |
Ethylene oxide |
1.427 |
1 |
2 |
|
|
1.427 |
1 |
3 |
NH2CHOH+ |
Formamide, O-protonated |
1.285 |
1 |
2 |
CH3CHOH |
1-hydroxy-ethyl radical |
1.374 |
1 |
3 |
CH3CHOH+ |
acetaldehyde, protonated |
1.263 |
1 |
3 |
C3O |
Tricarbon monoxide |
1.153 |
3 |
4 |
CF2O |
Carbonic difluoride |
1.173 |
1 |
2 |
CF2O+ |
Carbonic difluoride cation |
1.268 |
1 |
2 |
C3H2O |
Propadienal |
1.170 |
3 |
4 |
HOCH2CN |
cyanomethanol |
1.408 |
1 |
3 |
NH2COOH |
Carbamic acid |
1.207 |
1 |
2 |
|
|
1.356 |
1 |
4 |
CH3NCO |
methylisocyante |
1.176 |
3 |
4 |
NH2CONH2 |
Urea |
1.216 |
1 |
2 |
CH2CHCHO |
Acrolein |
1.212 |
1 |
4 |
NH3COOH+ |
protonated Carbamic acid |
1.177 |
1 |
2 |
|
|
1.310 |
1 |
4 |
NH2COOH2+ |
Carbamic acid, O-protonated |
1.296 |
1 |
2 |
|
|
1.290 |
1 |
4 |
HCONHCH3 |
N-methylformamide |
1.213 |
1 |
2 |
CH5N2O+ |
urea, N-protonated |
1.185 |
1 |
2 |
CH3C(OH)=NH |
Ethaninidic acid |
1.353 |
1 |
4 |
H2NCOHNH2+ |
urea, protonated |
1.307 |
1 |
2 |
CH2FCH2OH |
2-fluoroethanol |
1.413 |
1 |
3 |
CH2ClCH2OH |
2-Chloroethanol |
1.418 |
1 |
4 |
CH3CH2CHO |
Propanal |
1.210 |
3 |
4 |
C3H6O |
Oxetane |
1.443 |
1 |
3 |
|
|
1.443 |
1 |
4 |
C3H6O |
Acetone enol |
1.367 |
2 |
4 |
CH2ClCH2OH2+ |
2-chloroethanol, protonated |
1.537 |
1 |
4 |
CH3OC2H5 |
Ethane, methoxy- |
1.407 |
1 |
2 |
|
|
1.411 |
2 |
3 |
C3O2 |
Carbon suboxide |
1.164 |
2 |
4 |
|
|
1.164 |
3 |
5 |
BeCO3 |
Beryllium Carbonate |
1.185 |
1 |
2 |
|
|
1.394 |
1 |
4 |
|
|
1.394 |
1 |
5 |
MgCO3 |
Magnesium Carbonate |
1.202 |
1 |
2 |
|
|
1.371 |
1 |
4 |
|
|
1.371 |
1 |
5 |
CHOOCHO |
diformyl ether |
1.189 |
2 |
4 |
|
|
1.189 |
3 |
5 |
|
|
1.372 |
1 |
2 |
|
|
1.372 |
1 |
3 |
HCOOC2H5 |
Ethyl formate |
1.442 |
2 |
3 |
|
|
1.203 |
4 |
5 |
|
|
1.337 |
3 |
4 |
CF3OF |
Trifluoromethylhypofluorite |
1.387 |
1 |
2 |
ClCOClCO |
Oxalyl chloride |
1.186 |
1 |
3 |
|
|
1.186 |
2 |
4 |
C2H2O4 |
Oxalic Acid |
1.323 |
1 |
3 |
|
|
1.204 |
1 |
5 |
|
|
1.323 |
2 |
4 |
|
|
1.204 |
2 |
6 |
C3H2O3 |
vinylene carbonate |
1.187 |
1 |
2 |
|
|
1.367 |
1 |
3 |
|
|
1.367 |
1 |
4 |
|
|
1.381 |
3 |
5 |
|
|
1.381 |
4 |
6 |
C3H6O3 |
1,3,5-Trioxane |
1.404 |
1 |
4 |
|
|
1.404 |
1 |
5 |
|
|
1.404 |
2 |
4 |
|
|
1.404 |
2 |
6 |
|
|
1.404 |
3 |
5 |
|
|
1.404 |
3 |
6 |
CF3COF |
trifluoroacetyl fluoride |
1.179 |
2 |
3 |
CF3COO- |
trifluoro acetate anion |
1.241 |
2 |
6 |
|
|
1.243 |
2 |
7 |