Species |
Name |
Bond Length (Å) |
Atom1 index |
Atom2 index |
C2+ |
carbon diatomic cation |
1.380 |
1 |
2 |
C2H |
Ethynyl radical |
1.209 |
1 |
2 |
HCCH- |
acetylene anion |
1.296 |
1 |
2 |
C2H2+ |
acetylene cation |
1.227 |
1 |
2 |
H2CC- |
vinylidene anion |
1.337 |
1 |
2 |
C2H3 |
vinyl |
1.302 |
1 |
2 |
C2H3+ |
vinyl cation |
2.331 |
2 |
3 |
C2H4- |
Ethylene anion |
1.443 |
1 |
2 |
C2H4+ |
Ethylene cation |
1.403 |
1 |
2 |
C2H5 |
Ethyl radical |
1.498 |
1 |
2 |
C2H6+ |
ethane cation |
1.425 |
1 |
2 |
C3 |
carbon trimer |
1.275 |
1 |
2 |
|
|
1.275 |
1 |
3 |
CCO |
Dicarbon monoxide |
1.351 |
1 |
2 |
HCCN |
cyanomethylene |
1.403 |
1 |
2 |
HCCO |
ketenyl radical |
1.292 |
1 |
2 |
HCCF+ |
fluoroacetylene cation |
1.220 |
1 |
2 |
C3H3- |
Propargyl anion |
1.340 |
1 |
2 |
|
|
1.274 |
2 |
3 |
C3H3 |
cyclopropenyl radical |
1.455 |
1 |
3 |
|
|
1.455 |
1 |
4 |
|
|
1.293 |
3 |
4 |
CH3CN- |
acetonitrile anion |
1.567 |
1 |
2 |
CH3CN+ |
Acetonitrile cation |
1.433 |
1 |
2 |
HCNCH2+ |
2H-Azirine cation |
1.724 |
2 |
3 |
CH2CHO |
Vinyloxy radical |
1.458 |
1 |
3 |
CH2CHF |
Ethene, fluoro- |
1.307 |
1 |
2 |
CH3CHN |
methylmethaniminyl radical |
1.508 |
1 |
2 |
CH2CHNH |
vinylazine |
1.446 |
1 |
2 |
CH3CHO+ |
acetaldehyde cation |
1.482 |
1 |
2 |
C2H4O+ |
ethylene oxide cation |
1.442 |
2 |
3 |
CH2CH2Cl |
2-chloroethyl radical |
1.482 |
1 |
2 |
CHClCH3 |
1-chloroethyl radical |
1.493 |
1 |
2 |
C3H5 |
Allyl radical |
1.389 |
1 |
3 |
|
|
1.389 |
1 |
4 |
CH3CHCH |
1-propenyl radical |
1.324 |
1 |
2 |
|
|
1.505 |
1 |
3 |
CH3CH2O |
Ethoxy radical |
1.520 |
1 |
2 |
CH3CHOH |
1-hydroxy-ethyl radical |
1.492 |
1 |
2 |
CH2CH2OH |
2-hydroxy ethyl radical |
1.487 |
2 |
3 |
CH3CH2SH |
ethanethiol |
1.524 |
1 |
2 |
CH3CHCH3 |
Isopropyl radical |
1.500 |
1 |
2 |
|
|
1.500 |
1 |
3 |
C3H7 |
n-Propyl radical |
1.500 |
1 |
2 |
|
|
1.529 |
2 |
3 |
C4 |
Carbon tetramer |
1.277 |
1 |
2 |
|
|
1.289 |
1 |
3 |
|
|
1.289 |
2 |
4 |
C2H2O2 |
Ethanedial |
1.520 |
1 |
2 |
C3H3N+ |
acrylonitrile cation |
1.407 |
1 |
3 |
|
|
1.404 |
3 |
5 |
CH2ClCHO |
chloroacetaldehyde |
1.514 |
1 |
2 |
NH2CCNH2 |
Diaminoacetylene |
1.191 |
1 |
2 |
CH2BrCH2Br |
Ethane, 1,2-dibromo- |
1.511 |
1 |
2 |
CH3COCH2 |
Acetonyl radical |
1.469 |
1 |
3 |
|
|
1.512 |
1 |
4 |
C2H5OO |
ethylperoxy radical |
1.513 |
1 |
2 |
CH3COCH3- |
acetone anion |
1.529 |
1 |
3 |
|
|
1.529 |
1 |
4 |
CH3CHCHCH2 |
methylallyl radical |
1.390 |
1 |
2 |
|
|
1.389 |
2 |
3 |
|
|
1.500 |
3 |
4 |
CH3CHBrCH3 |
i-propyl bromide |
1.519 |
1 |
4 |
|
|
1.519 |
1 |
5 |
CH3CH2CH2Br |
n-propyl bromide |
1.519 |
1 |
2 |
|
|
1.530 |
2 |
3 |
CHCl2CHO |
dichloroacetaldehyde |
1.521 |
1 |
2 |
C3H3N2 |
imidazolyl radical |
1.479 |
4 |
5 |
CH3CF2Cl |
1-Chloro-1,1-Difluoroethane |
1.501 |
1 |
2 |
C4H4N |
pyrrolide radical |
1.462 |
2 |
4 |
|
|
1.462 |
3 |
5 |
|
|
1.338 |
4 |
5 |
C5H5 |
cyclopentadienyl radical |
1.396 |
1 |
2 |
|
|
1.396 |
1 |
5 |
|
|
1.472 |
2 |
3 |
|
|
1.336 |
3 |
4 |
|
|
1.472 |
4 |
5 |
C5H7 |
cyclopentenyl radical |
1.378 |
1 |
2 |
|
|
1.378 |
1 |
3 |
|
|
1.518 |
2 |
4 |
|
|
1.518 |
3 |
5 |
|
|
1.543 |
4 |
5 |
CF3CHO |
trifluoroacetaldehyde |
1.527 |
1 |
2 |
CCl3CHO |
trichloroacetaldehyde |
1.541 |
1 |
2 |
CF3CH2Cl |
2,2,2-Trifluoroethyl chloride |
1.510 |
1 |
2 |
C6H5O |
phenoxy radical |
1.392 |
1 |
2 |
|
|
1.392 |
1 |
3 |
|
|
1.381 |
2 |
4 |
|
|
1.381 |
3 |
5 |
|
|
1.387 |
4 |
6 |
|
|
1.387 |
5 |
6 |
C6H5CH2 |
benzyl radical |
1.397 |
1 |
2 |
|
|
1.397 |
1 |
6 |
|
|
1.448 |
1 |
7 |
|
|
1.382 |
2 |
3 |
|
|
1.386 |
3 |
4 |
|
|
1.386 |
4 |
5 |
|
|
1.382 |
5 |
6 |
C6H13N |
cyclohexanamine |
1.531 |
1 |
2 |
|
|
1.530 |
1 |
6 |
|
|
1.531 |
2 |
3 |
|
|
1.529 |
3 |
4 |
|
|
1.535 |
4 |
5 |
|
|
1.531 |
5 |
6 |
CF2ClCF2Cl |
1,2-Dichloro-1,1,2,2-tetrafluoroethane |
1.543 |
1 |
2 |
CF3CF2Cl |
pentafluorochloroethane |
1.536 |
1 |
2 |
C6H12O2 |
Methyl pivalate |
1.532 |
1 |
2 |
|
|
1.525 |
2 |
3 |
|
|
1.539 |
2 |
4 |
|
|
1.539 |
2 |
5 |