Species |
Name |
Bond Length (Å) |
Atom1 index |
Atom2 index |
CO- |
carbon monoxide anion |
1.183 |
1 |
2 |
CO |
Carbon monoxide |
1.136 |
1 |
2 |
CO+ |
carbon monoxide cation |
1.119 |
1 |
2 |
HCO- |
formyl anion |
1.246 |
1 |
3 |
HCO |
Formyl radical |
1.183 |
1 |
3 |
HCO+ |
Formyl cation |
1.113 |
1 |
3 |
COH+ |
Carbon Monoxide, protonated |
1.162 |
1 |
2 |
H2CO- |
formaldehyde anion |
1.288 |
1 |
2 |
H2CO |
Formaldehyde |
1.211 |
1 |
2 |
H2CO+ |
formaldehyde cation |
1.200 |
1 |
2 |
HOCH |
hydroxycarbene |
1.319 |
1 |
2 |
CH3O- |
methoxy anion |
1.350 |
1 |
2 |
CH3O+ |
Methoxy cation |
1.315 |
1 |
2 |
CH2OH |
Hydroxymethyl radical |
1.371 |
1 |
2 |
CH2OH+ |
hydroxymethyl cation |
1.253 |
1 |
2 |
CH3OH- |
Methyl alcohol anion |
1.426 |
1 |
2 |
CH3OH |
Methyl alcohol |
1.426 |
1 |
2 |
CH3OH+ |
Methyl alcohol cation |
1.377 |
1 |
2 |
CH3OH2+ |
Methanol, protonated |
1.517 |
1 |
2 |
CO2- |
Carbon dioxide anion |
1.237 |
1 |
2 |
|
|
1.237 |
1 |
3 |
CO2 |
Carbon dioxide |
1.167 |
1 |
2 |
|
|
1.167 |
1 |
3 |
CO2+ |
Carbon dioxide cation |
1.181 |
1 |
2 |
|
|
1.181 |
1 |
3 |
CCO |
Dicarbon monoxide |
1.164 |
2 |
3 |
NCO- |
cyanate |
1.234 |
2 |
3 |
NCO |
isocyanato radical |
1.181 |
2 |
3 |
OCS |
Carbonyl sulfide |
1.163 |
1 |
2 |
OCS+ |
Carbonyl sulfide cation |
1.134 |
1 |
2 |
OCSe |
Carbonyl selenide |
1.160 |
1 |
2 |
FCO |
Carbonyl fluoride |
1.174 |
2 |
3 |
FCO+ |
Carbonyl fluoride cation |
1.123 |
2 |
3 |
ClCO |
carbonyl monochloride |
1.163 |
2 |
3 |
HOCO+ |
Hydrocarboxyl cation |
1.231 |
1 |
2 |
|
|
1.129 |
1 |
3 |
HCOO |
formate neutral radical |
1.232 |
1 |
3 |
|
|
1.286 |
1 |
4 |
HCCO |
ketenyl radical |
1.175 |
1 |
3 |
HFCO+ |
formyl fluoride cation |
1.247 |
1 |
2 |
COHCl |
Formyl chloride |
1.188 |
1 |
2 |
COHBr |
Formyl bromide |
1.188 |
1 |
2 |
HCOOH |
Formic acid |
1.348 |
1 |
2 |
|
|
1.204 |
1 |
3 |
C2H2O |
Oxirene |
1.503 |
1 |
2 |
|
|
1.503 |
1 |
3 |
CH2CO |
Ketene |
1.167 |
2 |
3 |
H2COO |
Dioxymethyl radical |
2.248 |
2 |
5 |
|
|
1.275 |
1 |
2 |
H2COO+ |
dioxymethyl cation |
2.254 |
2 |
5 |
|
|
1.260 |
1 |
2 |
CHONH2 |
formamide |
1.216 |
1 |
2 |
CNOH3 |
1,2-oxaziridine |
1.402 |
1 |
3 |
HOCHNH |
hydroxymethylimine |
1.349 |
1 |
2 |
BH3CO |
Borane carbonyl |
1.134 |
2 |
3 |
CH2COH+ |
ketene, protonated |
1.231 |
2 |
3 |
NaOCH3 |
Sodium methoxide |
1.381 |
2 |
3 |
CH2FOH |
fluoromethanol |
1.382 |
1 |
3 |
CH3CHO |
Acetaldehyde |
1.214 |
1 |
3 |
CH3CHO+ |
acetaldehyde cation |
1.204 |
1 |
3 |
C2H4O |
Ethylene oxide |
1.436 |
1 |
2 |
|
|
1.436 |
1 |
3 |
C2H4O+ |
ethylene oxide cation |
1.486 |
1 |
2 |
|
|
1.486 |
1 |
3 |
CH2(OH)2 |
methanediol |
1.408 |
1 |
2 |
|
|
1.408 |
1 |
3 |
H2CONH2+ |
protonated formamide |
1.290 |
1 |
2 |
NH2CHOH+ |
Formamide, O-protonated |
1.290 |
1 |
2 |
CH3CH2O |
Ethoxy radical |
1.380 |
2 |
3 |
CH3CHOH+ |
acetaldehyde, protonated |
1.267 |
1 |
3 |
C3O |
Tricarbon monoxide |
1.155 |
3 |
4 |
CF2O |
Carbonic difluoride |
1.177 |
1 |
2 |
CF2O+ |
Carbonic difluoride cation |
1.272 |
1 |
2 |
COFCl |
Carbonic chloride fluoride |
1.179 |
1 |
2 |
C2H2O2 |
Ethanedial |
1.212 |
1 |
5 |
|
|
1.212 |
2 |
6 |
H2CO3 |
Carbonic acid |
1.207 |
1 |
2 |
|
|
1.340 |
1 |
3 |
|
|
1.340 |
1 |
4 |
C3H2O |
Propadienal |
1.172 |
3 |
4 |
HOCH2CN |
cyanomethanol |
1.414 |
1 |
3 |
NH2COOH |
Carbamic acid |
1.213 |
1 |
2 |
|
|
1.361 |
1 |
4 |
CH3NCO |
methylisocyante |
1.179 |
3 |
4 |
H3CO3+ |
carbonic acid, protonated |
1.282 |
1 |
2 |
|
|
1.282 |
1 |
3 |
|
|
1.282 |
1 |
4 |
NH2CONH2 |
Urea |
1.219 |
1 |
2 |
CH2CHCHO |
Acrolein |
1.217 |
1 |
4 |
NH3COOH+ |
protonated Carbamic acid |
1.181 |
1 |
2 |
|
|
1.315 |
1 |
4 |
NH2COOH2+ |
Carbamic acid, O-protonated |
1.301 |
1 |
2 |
|
|
1.294 |
1 |
4 |
HCONHCH3 |
N-methylformamide |
1.219 |
1 |
2 |
CH5N2O+ |
urea, N-protonated |
1.189 |
1 |
2 |
H2NCOHNH2+ |
urea, protonated |
1.312 |
1 |
2 |
CH2FCH2OH |
2-fluoroethanol |
1.420 |
1 |
3 |
CH2ClCH2OH2+ |
2-chloroethanol, protonated |
1.547 |
1 |
4 |
C3O2 |
Carbon suboxide |
1.166 |
2 |
4 |
|
|
1.166 |
3 |
5 |
BeCO3 |
Beryllium Carbonate |
1.189 |
1 |
2 |
|
|
1.397 |
1 |
4 |
|
|
1.397 |
1 |
5 |
MgCO3 |
Magnesium Carbonate |
1.207 |
1 |
2 |
|
|
1.375 |
1 |
4 |
|
|
1.375 |
1 |
5 |
CF3OH |
trifluoromethanol |
1.349 |
1 |
2 |
CHOOCHO |
diformyl ether |
1.192 |
2 |
4 |
|
|
1.192 |
3 |
5 |
|
|
1.378 |
1 |
2 |
|
|
1.378 |
1 |
3 |
CH3COCCH |
3-butyn-2-one |
1.217 |
2 |
3 |
Na2CO3 |
Sodium Carbonate |
1.356 |
1 |
2 |
|
|
1.279 |
1 |
3 |
|
|
1.279 |
1 |
4 |
C2H4CO3 |
Ethylene carbonate |
1.185 |
1 |
2 |
|
|
1.394 |
1 |
3 |
|
|
1.394 |
1 |
4 |
|
|
1.394 |
3 |
5 |
|
|
1.394 |
4 |
6 |