Species |
Name |
Bond Length (Å) |
Atom1 index |
Atom2 index |
CO- |
carbon monoxide anion |
1.205 |
1 |
2 |
CO |
Carbon monoxide |
1.147 |
1 |
2 |
CO+ |
carbon monoxide cation |
1.129 |
1 |
2 |
HCO- |
formyl anion |
1.255 |
1 |
3 |
HCO |
Formyl radical |
1.193 |
1 |
3 |
HCO+ |
Formyl cation |
1.122 |
1 |
3 |
COH+ |
Carbon Monoxide, protonated |
1.174 |
1 |
2 |
H2CO- |
formaldehyde anion |
1.305 |
1 |
2 |
H2CO |
Formaldehyde |
1.222 |
1 |
2 |
H2CO+ |
formaldehyde cation |
1.211 |
1 |
2 |
HOCH |
hydroxycarbene |
1.332 |
1 |
2 |
CH3O- |
methoxy anion |
1.361 |
1 |
2 |
CH3O+ |
Methoxy cation |
1.329 |
1 |
2 |
CH2OH |
Hydroxymethyl radical |
1.384 |
1 |
2 |
CH2OH+ |
hydroxymethyl cation |
1.263 |
1 |
2 |
CH3OH- |
Methyl alcohol anion |
1.437 |
1 |
2 |
CH3OH |
Methyl alcohol |
1.436 |
1 |
2 |
CH3OH+ |
Methyl alcohol cation |
1.394 |
1 |
2 |
CH3OH2+ |
Methanol, protonated |
1.535 |
1 |
2 |
CO2- |
Carbon dioxide anion |
1.249 |
1 |
2 |
|
|
1.249 |
1 |
3 |
CO2 |
Carbon dioxide |
1.177 |
1 |
2 |
|
|
1.177 |
1 |
3 |
CO2+ |
Carbon dioxide cation |
1.190 |
1 |
2 |
|
|
1.190 |
1 |
3 |
CCO |
Dicarbon monoxide |
1.174 |
2 |
3 |
NCO |
isocyanato radical |
1.191 |
2 |
3 |
OCS |
Carbonyl sulfide |
1.173 |
1 |
2 |
OCSe |
Carbonyl selenide |
1.171 |
1 |
2 |
FCO |
Carbonyl fluoride |
1.182 |
2 |
3 |
FCO+ |
Carbonyl fluoride cation |
1.132 |
2 |
3 |
ClCO |
carbonyl monochloride |
1.171 |
2 |
3 |
HCOO |
formate neutral radical |
1.244 |
1 |
3 |
|
|
1.296 |
1 |
4 |
HCCO |
ketenyl radical |
1.183 |
1 |
3 |
HFCO+ |
formyl fluoride cation |
1.257 |
1 |
2 |
COHCl |
Formyl chloride |
1.198 |
1 |
2 |
COHBr |
Formyl bromide |
1.197 |
1 |
2 |
HCOOH |
Formic acid |
1.360 |
1 |
2 |
|
|
1.214 |
1 |
3 |
C2H2O |
Oxirene |
1.523 |
1 |
2 |
|
|
1.523 |
1 |
3 |
CH2CO |
Ketene |
1.178 |
2 |
3 |
H2COO |
Dioxymethyl radical |
2.261 |
2 |
5 |
|
|
1.285 |
1 |
2 |
H2COO+ |
dioxymethyl cation |
2.267 |
2 |
5 |
|
|
1.269 |
1 |
2 |
CHONH2 |
formamide |
1.227 |
1 |
2 |
CH2CHO |
Vinyloxy radical |
1.244 |
1 |
4 |
CNOH3 |
1,2-oxaziridine |
1.414 |
1 |
3 |
CH2OOH |
CH2OOH radical |
1.377 |
1 |
2 |
HOCHNH |
hydroxymethylimine |
1.361 |
1 |
2 |
BH3CO |
Borane carbonyl |
1.143 |
2 |
3 |
CH2COH+ |
ketene, protonated |
1.242 |
2 |
3 |
NaOCH3 |
Sodium methoxide |
1.388 |
2 |
3 |
CH2FOH |
fluoromethanol |
1.391 |
1 |
3 |
CH3CHO |
Acetaldehyde |
1.224 |
1 |
3 |
CH3CHO+ |
acetaldehyde cation |
1.215 |
1 |
3 |
C2H4O |
Ethylene oxide |
1.452 |
1 |
2 |
|
|
1.452 |
1 |
3 |
C2H4O+ |
ethylene oxide cation |
1.508 |
1 |
2 |
|
|
1.508 |
1 |
3 |
CH2(OH)2 |
methanediol |
1.419 |
1 |
2 |
|
|
1.419 |
1 |
3 |
H2CONH2+ |
protonated formamide |
1.301 |
1 |
2 |
NH2CHOH+ |
Formamide, O-protonated |
1.301 |
1 |
2 |
CH3CH2O |
Ethoxy radical |
1.392 |
2 |
3 |
CH3CHOH |
1-hydroxy-ethyl radical |
1.392 |
1 |
3 |
CH3CHOH+ |
acetaldehyde, protonated |
1.278 |
1 |
3 |
CH2CH2OH |
2-hydroxy ethyl radical |
1.454 |
1 |
2 |
CH3OCH2 |
methoxymethyl radical |
1.436 |
1 |
2 |
|
|
1.371 |
1 |
3 |
C3O |
Tricarbon monoxide |
1.165 |
3 |
4 |
CF2O |
Carbonic difluoride |
1.185 |
1 |
2 |
CF2O+ |
Carbonic difluoride cation |
1.281 |
1 |
2 |
COFCl |
Carbonic chloride fluoride |
1.188 |
1 |
2 |
COBr2 |
Carbonic dibromide |
1.190 |
1 |
2 |
C2H2O2 |
Ethanedial |
1.222 |
1 |
5 |
|
|
1.222 |
2 |
6 |
H2CO3 |
Carbonic acid |
1.217 |
1 |
2 |
|
|
1.351 |
1 |
3 |
|
|
1.351 |
1 |
4 |
C3H2O |
Propadienal |
1.180 |
3 |
4 |
HOCH2CN |
cyanomethanol |
1.425 |
1 |
3 |
NH2COOH |
Carbamic acid |
1.222 |
1 |
2 |
|
|
1.372 |
1 |
4 |
CH3NCO |
methylisocyante |
1.188 |
3 |
4 |
H3CO3+ |
carbonic acid, protonated |
1.292 |
1 |
2 |
|
|
1.292 |
1 |
3 |
|
|
1.292 |
1 |
4 |
NH2CONH2 |
Urea |
1.228 |
1 |
2 |
CH2CHCHO |
Acrolein |
1.227 |
1 |
4 |
NH3COOH+ |
protonated Carbamic acid |
1.191 |
1 |
2 |
|
|
1.327 |
1 |
4 |
NH2COOH2+ |
Carbamic acid, O-protonated |
1.312 |
1 |
2 |
|
|
1.305 |
1 |
4 |
HCONHCH3 |
N-methylformamide |
1.231 |
1 |
2 |
CH3COCH2 |
Acetonyl radical |
1.244 |
1 |
2 |
CH5N2O+ |
urea, N-protonated |
1.199 |
1 |
2 |
CH3C(OH)=NH |
Ethaninidic acid |
1.370 |
1 |
4 |
H2NCOHNH2+ |
urea, protonated |
1.323 |
1 |
2 |
CH2FCH2OH |
2-fluoroethanol |
1.430 |
1 |
3 |
CH2ClCH2OH |
2-Chloroethanol |
1.437 |
1 |
4 |
C3H6O |
2-Propen-1-ol |
1.441 |
1 |
4 |
CH3CH2CHO |
Propanal |
1.224 |
3 |
4 |
C3H6O |
Oxetane |
1.465 |
1 |
3 |
|
|
1.465 |
1 |
4 |
CH2ClCH2OH2+ |
2-chloroethanol, protonated |
1.566 |
1 |
4 |
HOCH2CH2NH2 |
monoethanolamine |
1.430 |
3 |
4 |
C3H7OH |
1-Propanol |
1.442 |
3 |
4 |
CH3OC2H5 |
Ethane, methoxy- |
1.425 |
1 |
2 |
|
|
1.430 |
2 |
3 |
C3O2 |
Carbon suboxide |
1.176 |
2 |
4 |
|
|
1.176 |
3 |
5 |
BeCO3 |
Beryllium Carbonate |
1.199 |
1 |
2 |
|
|
1.410 |
1 |
4 |
|
|
1.410 |
1 |
5 |
MgCO3 |
Magnesium Carbonate |
1.217 |
1 |
2 |
|
|
1.387 |
1 |
4 |
|
|
1.387 |
1 |
5 |
CF3OH |
trifluoromethanol |
1.356 |
1 |
2 |
CHOCOOH |
oxo acetic acid |
1.223 |
1 |
3 |
|
|
1.214 |
2 |
4 |
|
|
1.350 |
2 |
5 |
CHOOCHO |
diformyl ether |
1.202 |
2 |
4 |
|
|
1.202 |
3 |
5 |
|
|
1.390 |
1 |
2 |
|
|
1.390 |
1 |
3 |
CHCl2CHO |
dichloroacetaldehyde |
1.214 |
2 |
6 |
C3H3NO |
Isoxazole |
1.358 |
3 |
5 |
HOCH2COOH |
Hydroxyacetic acid |
1.418 |
1 |
5 |
|
|
1.358 |
2 |
3 |
|
|
1.220 |
2 |
4 |
CH3COCCH |
3-butyn-2-one |
1.227 |
2 |
3 |
C2H4O3 |
1,2,3-trioxolane |
1.438 |
2 |
4 |
|
|
1.438 |
3 |
5 |
CH3OCH2CN |
Methoxyacetonitrile |
1.437 |
1 |
2 |
|
|
1.416 |
2 |
3 |
CH3CH2COOH |
Propanoic Acid |
1.370 |
1 |
4 |
|
|
1.219 |
1 |
5 |
CH2CHOCHCH2 |
Vinyl ether |
1.383 |
1 |
2 |
|
|
1.389 |
1 |
3 |
HCOOC2H5 |
Ethyl formate |
1.462 |
2 |
3 |
|
|
1.217 |
4 |
5 |
|
|
1.353 |
3 |
4 |
C4H10O |
Methyl propyl ether |
1.426 |
1 |
2 |
|
|
1.429 |
2 |
3 |
Na2CO3 |
Sodium Carbonate |
1.366 |
1 |
2 |
|
|
1.288 |
1 |
3 |
|
|
1.288 |
1 |
4 |
CF3OF |
Trifluoromethylhypofluorite |
1.399 |
1 |
2 |
C3H2O3 |
vinylene carbonate |
1.201 |
1 |
2 |
|
|
1.382 |
1 |
3 |
|
|
1.382 |
1 |
4 |
|
|
1.398 |
3 |
5 |
|
|
1.398 |
4 |
6 |
C4H6O2 |
Crotonic Acid |
1.371 |
1 |
5 |
|
|
1.223 |
1 |
6 |
C3H6O3 |
1,3,5-Trioxane |
1.422 |
1 |
4 |
|
|
1.422 |
1 |
5 |
|
|
1.422 |
2 |
4 |
|
|
1.422 |
2 |
6 |
|
|
1.422 |
3 |
5 |
|
|
1.422 |
3 |
6 |
C5H6O |
Pentadienal |
1.229 |
1 |
2 |
NH(CH3)CONH(CH3) |
Urea, N,N'-dimethyl- |
1.233 |
1 |
2 |
C5H10O |
3-Pentanone |
1.229 |
1 |
2 |
CF3COO- |
trifluoro acetate anion |
1.256 |
2 |
6 |
|
|
1.258 |
2 |
7 |