Species |
Name |
Bond Length (Å) |
Atom1 index |
Atom2 index |
CO- |
carbon monoxide anion |
1.227 |
1 |
2 |
CO |
Carbon monoxide |
1.133 |
1 |
2 |
CO+ |
carbon monoxide cation |
1.116 |
1 |
2 |
HCO- |
formyl anion |
1.238 |
1 |
3 |
HCO |
Formyl radical |
1.179 |
1 |
3 |
HCO+ |
Formyl cation |
1.110 |
1 |
3 |
COH+ |
Carbon Monoxide, protonated |
1.158 |
1 |
2 |
H2CO- |
formaldehyde anion |
1.298 |
1 |
2 |
H2CO |
Formaldehyde |
1.206 |
1 |
2 |
H2CO+ |
formaldehyde cation |
1.196 |
1 |
2 |
HOCH |
hydroxycarbene |
1.314 |
1 |
2 |
CH3O- |
methoxy anion |
1.320 |
1 |
2 |
CH3O+ |
Methoxy cation |
1.311 |
1 |
2 |
CH2OH |
Hydroxymethyl radical |
1.365 |
1 |
2 |
CH2OH+ |
hydroxymethyl cation |
1.248 |
1 |
2 |
CH3OH- |
Methyl alcohol anion |
1.410 |
1 |
2 |
CH3OH |
Methyl alcohol |
1.416 |
1 |
2 |
CH3OH+ |
Methyl alcohol cation |
1.370 |
1 |
2 |
CH3OH2+ |
Methanol, protonated |
1.508 |
1 |
2 |
CO2- |
Carbon dioxide anion |
1.240 |
1 |
2 |
|
|
1.240 |
1 |
3 |
CO2 |
Carbon dioxide |
1.163 |
1 |
2 |
|
|
1.163 |
1 |
3 |
CO2+ |
Carbon dioxide cation |
1.177 |
1 |
2 |
|
|
1.177 |
1 |
3 |
CCO |
Dicarbon monoxide |
1.161 |
2 |
3 |
NCO |
isocyanato radical |
1.178 |
2 |
3 |
OCS |
Carbonyl sulfide |
1.159 |
1 |
2 |
OCSe |
Carbonyl selenide |
1.156 |
1 |
2 |
FCO |
Carbonyl fluoride |
1.171 |
2 |
3 |
FCO+ |
Carbonyl fluoride cation |
1.120 |
2 |
3 |
ClCO |
carbonyl monochloride |
1.160 |
2 |
3 |
HCOO |
formate neutral radical |
1.216 |
1 |
3 |
|
|
1.299 |
1 |
4 |
HCCO |
ketenyl radical |
1.173 |
1 |
3 |
HFCO+ |
formyl fluoride cation |
1.243 |
1 |
2 |
COHCl |
Formyl chloride |
1.184 |
1 |
2 |
COHBr |
Formyl bromide |
1.183 |
1 |
2 |
HCOOH |
Formic acid |
1.343 |
1 |
2 |
|
|
1.199 |
1 |
3 |
C2H2O |
Oxirene |
1.496 |
1 |
2 |
|
|
1.496 |
1 |
3 |
CH2CO |
Ketene |
1.164 |
2 |
3 |
H2COO |
Dioxymethyl radical |
2.239 |
2 |
5 |
|
|
1.275 |
1 |
2 |
H2COO+ |
dioxymethyl cation |
2.247 |
2 |
5 |
|
|
1.255 |
1 |
2 |
CHONH2 |
formamide |
1.211 |
1 |
2 |
CNOH3 |
1,2-oxaziridine |
1.395 |
1 |
3 |
HOCHNH |
hydroxymethylimine |
1.344 |
1 |
2 |
BH3CO |
Borane carbonyl |
1.130 |
2 |
3 |
CH2COH+ |
ketene, protonated |
1.227 |
2 |
3 |
NaOCH3 |
Sodium methoxide |
1.372 |
2 |
3 |
CH2FOH |
fluoromethanol |
1.377 |
1 |
3 |
CH3OCl |
methyl hypochlorite |
1.422 |
1 |
3 |
CH3CHO |
Acetaldehyde |
1.208 |
1 |
3 |
C2H4O |
Ethylene oxide |
1.427 |
1 |
2 |
|
|
1.427 |
1 |
3 |
C2H4O+ |
ethylene oxide cation |
1.476 |
1 |
2 |
|
|
1.476 |
1 |
3 |
CH2(OH)2 |
methanediol |
1.401 |
1 |
2 |
|
|
1.401 |
1 |
3 |
H2CONH2+ |
protonated formamide |
1.284 |
1 |
2 |
NH2CHOH+ |
Formamide, O-protonated |
1.285 |
1 |
2 |
CH3CH2O |
Ethoxy radical |
1.373 |
2 |
3 |
CH3CHOH |
1-hydroxy-ethyl radical |
1.373 |
1 |
3 |
CH3CHOH+ |
acetaldehyde, protonated |
1.262 |
1 |
3 |
CH2CH2OH |
2-hydroxy ethyl radical |
1.432 |
1 |
2 |
C3O |
Tricarbon monoxide |
1.151 |
3 |
4 |
CF2O |
Carbonic difluoride |
1.173 |
1 |
2 |
CF2O+ |
Carbonic difluoride cation |
1.268 |
1 |
2 |
COFCl |
Carbonic chloride fluoride |
1.175 |
1 |
2 |
COBr2 |
Carbonic dibromide |
1.177 |
1 |
2 |
C2H2O2 |
Ethanedial |
1.208 |
1 |
5 |
|
|
1.208 |
2 |
6 |
H2CO3 |
Carbonic acid |
1.202 |
1 |
2 |
|
|
1.336 |
1 |
3 |
|
|
1.336 |
1 |
4 |
C3H2O |
Propadienal |
1.169 |
3 |
4 |
HOCH2CN |
cyanomethanol |
1.407 |
1 |
3 |
NH2COOH |
Carbamic acid |
1.207 |
1 |
2 |
|
|
1.355 |
1 |
4 |
CH3NCO |
methylisocyante |
1.175 |
3 |
4 |
H3CO3+ |
carbonic acid, protonated |
1.278 |
1 |
2 |
|
|
1.278 |
1 |
3 |
|
|
1.278 |
1 |
4 |
CH2ClCHO |
chloroacetaldehyde |
1.202 |
2 |
4 |
NH2CONH2 |
Urea |
1.212 |
1 |
2 |
CH2CHCHO |
Acrolein |
1.211 |
1 |
4 |
NH3COOH+ |
protonated Carbamic acid |
1.177 |
1 |
2 |
|
|
1.309 |
1 |
4 |
NH2COOH2+ |
Carbamic acid, O-protonated |
1.296 |
1 |
2 |
|
|
1.289 |
1 |
4 |
CH3COCH2 |
Acetonyl radical |
1.228 |
1 |
2 |
H2NCOHNH2+ |
urea, protonated |
1.306 |
1 |
2 |
CH2FCH2OH |
2-fluoroethanol |
1.413 |
1 |
3 |
CH2ClCH2OH |
2-Chloroethanol |
1.417 |
1 |
4 |
CH3CH2CHO |
Propanal |
1.209 |
3 |
4 |
C3H6O |
Oxetane |
1.443 |
1 |
3 |
|
|
1.443 |
1 |
4 |
C3H6O |
Acetone enol |
1.367 |
2 |
4 |
CH2ClCH2OH2+ |
2-chloroethanol, protonated |
1.536 |
1 |
4 |
CH3OC2H5 |
Ethane, methoxy- |
1.407 |
1 |
2 |
|
|
1.411 |
2 |
3 |
C3O2 |
Carbon suboxide |
1.162 |
2 |
4 |
|
|
1.162 |
3 |
5 |
BeCO3 |
Beryllium Carbonate |
1.184 |
1 |
2 |
|
|
1.393 |
1 |
4 |
|
|
1.393 |
1 |
5 |
MgCO3 |
Magnesium Carbonate |
1.202 |
1 |
2 |
|
|
1.370 |
1 |
4 |
|
|
1.370 |
1 |
5 |
CF3OH |
trifluoromethanol |
1.345 |
1 |
2 |
C3H2O2 |
Propiolic acid |
1.344 |
1 |
4 |
|
|
1.203 |
1 |
5 |
CHOOCHO |
diformyl ether |
1.188 |
2 |
4 |
|
|
1.188 |
3 |
5 |
|
|
1.371 |
1 |
2 |
|
|
1.371 |
1 |
3 |
CHCl2CHO |
dichloroacetaldehyde |
1.202 |
2 |
6 |
C3H3NO |
Isoxazole |
1.342 |
3 |
5 |
C3H3NO |
Oxazole |
1.353 |
1 |
2 |
|
|
1.368 |
1 |
5 |
C3H4O2 |
Methyl glyoxal |
1.208 |
1 |
4 |
|
|
1.212 |
2 |
5 |
CH3COCCH |
3-butyn-2-one |
1.212 |
2 |
3 |
C2H4O3 |
1,2,3-trioxolane |
1.420 |
2 |
4 |
|
|
1.420 |
3 |
5 |
HOCHCCHOH |
allenediol |
1.367 |
2 |
4 |
|
|
1.367 |
3 |
5 |
CH3OCH2CN |
Methoxyacetonitrile |
1.414 |
1 |
2 |
|
|
1.402 |
2 |
3 |
HCOOC2H5 |
Ethyl formate |
1.441 |
2 |
3 |
|
|
1.202 |
4 |
5 |
|
|
1.336 |
3 |
4 |
C4H10O |
Methyl propyl ether |
1.407 |
1 |
2 |
|
|
1.409 |
2 |
3 |
Na2CO3 |
Sodium Carbonate |
1.351 |
1 |
2 |
|
|
1.273 |
1 |
3 |
|
|
1.273 |
1 |
4 |
CF3OF |
Trifluoromethylhypofluorite |
1.386 |
1 |
2 |
CF3CHO |
trifluoroacetaldehyde |
1.200 |
2 |
3 |
C2H2O4 |
Oxalic Acid |
1.322 |
1 |
3 |
|
|
1.203 |
1 |
5 |
|
|
1.322 |
2 |
4 |
|
|
1.203 |
2 |
6 |
C3H2O3 |
vinylene carbonate |
1.186 |
1 |
2 |
|
|
1.366 |
1 |
3 |
|
|
1.366 |
1 |
4 |
|
|
1.380 |
3 |
5 |
|
|
1.380 |
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 |
C5H10O |
3-Pentanone |
1.213 |
1 |
2 |
CF3COF |
trifluoroacetyl fluoride |
1.178 |
2 |
3 |
CF3COO- |
trifluoro acetate anion |
1.241 |
2 |
6 |
|
|
1.242 |
2 |
7 |