Species |
Name |
Bond Length (Å) |
Atom1 index |
Atom2 index |
C2H- |
Ethynyl anion |
1.240 |
1 |
2 |
C2H2 |
Acetylene |
1.200 |
1 |
2 |
C2H3 |
vinyl |
1.294 |
1 |
2 |
C2H4 |
Ethylene |
1.321 |
1 |
2 |
C2H4+ |
Ethylene cation |
1.352 |
1 |
2 |
C2H5 |
Ethyl radical |
1.458 |
1 |
2 |
C2H6 |
Ethane |
1.506 |
1 |
2 |
C3 |
carbon trimer |
1.290 |
1 |
2 |
|
|
1.290 |
1 |
3 |
HCCBr |
bromoacetylene |
1.204 |
1 |
2 |
CH3CN |
Acetonitrile |
1.432 |
1 |
2 |
CHNCH2 |
2H-Azirine |
1.424 |
2 |
3 |
CHNHCH |
1H-Azirine |
1.272 |
2 |
3 |
H2CCNH |
Ethenimine |
1.302 |
1 |
2 |
HCCNH2 |
Ethynamine |
1.207 |
1 |
2 |
CH2COH+ |
ketene, protonated |
1.265 |
1 |
2 |
CH2CH2Cl |
2-chloroethyl radical |
1.436 |
1 |
2 |
CHClCH3 |
1-chloroethyl radical |
1.455 |
1 |
2 |
C3H5 |
Allyl radical |
1.371 |
1 |
3 |
|
|
1.371 |
1 |
4 |
C3H6 |
Cyclopropane |
1.490 |
1 |
2 |
|
|
1.490 |
1 |
3 |
|
|
1.490 |
2 |
3 |
CH2CHCH3 |
Propene |
1.475 |
1 |
2 |
|
|
1.324 |
2 |
3 |
C2H6N+ |
aziridine, protonated |
1.465 |
2 |
3 |
CH3CHCH3 |
Isopropyl radical |
1.462 |
1 |
2 |
|
|
1.462 |
1 |
3 |
CH3CHCH3+ |
Isopropyl cation |
1.412 |
1 |
3 |
|
|
1.412 |
1 |
4 |
C3H7 |
n-Propyl radical |
1.459 |
1 |
2 |
|
|
1.507 |
2 |
3 |
C3H8 |
Propane |
1.506 |
1 |
2 |
|
|
1.506 |
1 |
3 |
CHFCHClz |
(Z)-1-Chloro-2-fluoroethene |
1.322 |
1 |
2 |
CHFCHCl |
(E)-1-chloro-2-fluoroethene |
1.321 |
1 |
2 |
C2H2ClF |
1-chloro-1-fluoroethylene |
1.317 |
1 |
2 |
CHBrCHBr |
Ethene, 1,2-dibromo-, (Z)- |
1.322 |
1 |
2 |
C3H6O |
Acetone enol |
1.473 |
1 |
2 |
|
|
1.330 |
2 |
3 |
CH3CHFCH3 |
2-Fluoropropane |
1.494 |
1 |
4 |
|
|
1.494 |
1 |
5 |
CH2FCH2CH3 |
1-Fluoropropane |
1.493 |
1 |
2 |
|
|
1.506 |
2 |
3 |
CH2CHCH2CH3 |
1-Butene |
1.512 |
1 |
2 |
|
|
1.477 |
2 |
3 |
|
|
1.324 |
3 |
4 |
NH2CH2CH2CH3 |
1-Propanamine |
1.505 |
1 |
2 |
|
|
1.510 |
2 |
3 |
CH3CH2CH2CH3 |
Butane |
1.507 |
1 |
2 |
|
|
1.505 |
1 |
3 |
|
|
1.505 |
2 |
4 |
C3H4N2 |
2H-Imidazole |
1.438 |
4 |
5 |
CH3COCCH |
3-butyn-2-one |
1.485 |
1 |
2 |
|
|
1.438 |
2 |
4 |
|
|
1.206 |
4 |
5 |
C5H6 |
Propellane |
1.501 |
1 |
2 |
|
|
1.501 |
2 |
3 |
|
|
2.228 |
3 |
4 |
|
|
1.501 |
3 |
5 |
|
|
1.501 |
4 |
5 |
|
|
1.501 |
1 |
5 |
|
|
1.545 |
2 |
5 |
C4H10O |
Methyl propyl ether |
1.496 |
3 |
4 |
|
|
1.505 |
4 |
5 |
C(CH3)3SH |
2-Propanethiol, 2-methyl- |
1.509 |
1 |
3 |
|
|
1.507 |
1 |
4 |
|
|
1.507 |
1 |
5 |
C6H6 |
Benzvalene |
1.434 |
1 |
2 |
|
|
1.513 |
1 |
3 |
|
|
1.513 |
2 |
3 |
|
|
1.513 |
2 |
4 |
|
|
1.513 |
1 |
4 |
|
|
1.490 |
3 |
5 |
|
|
1.332 |
5 |
6 |
|
|
1.490 |
4 |
6 |
C6H6 |
1,2,4,5-Hexatetraene |
1.443 |
1 |
2 |
|
|
1.307 |
1 |
3 |
|
|
1.307 |
2 |
4 |
|
|
1.295 |
3 |
5 |
|
|
1.295 |
4 |
6 |
C5H6O |
Pentadienal |
1.441 |
1 |
3 |
|
|
1.342 |
3 |
4 |
|
|
1.425 |
4 |
5 |
|
|
1.334 |
5 |
6 |
C7H7+ |
cycloheptatrienyl cation |
1.385 |
1 |
2 |
|
|
1.385 |
2 |
3 |
|
|
1.385 |
3 |
4 |
|
|
1.385 |
4 |
5 |
|
|
1.385 |
5 |
6 |
|
|
1.385 |
6 |
7 |
|
|
1.385 |
1 |
7 |
C6H12O |
Oxepane |
1.513 |
2 |
3 |
|
|
1.514 |
3 |
4 |
|
|
1.515 |
4 |
5 |
|
|
1.510 |
5 |
6 |
|
|
1.507 |
6 |
7 |
C6H4Cl2 |
1,4-dichlorobenzene |
1.382 |
1 |
3 |
|
|
1.382 |
1 |
4 |
|
|
1.382 |
2 |
5 |
|
|
1.380 |
4 |
5 |
|
|
1.382 |
2 |
6 |
|
|
1.380 |
3 |
6 |
C6H5NO |
nitrosobenzene |
1.387 |
1 |
2 |
|
|
1.374 |
2 |
3 |
|
|
1.391 |
3 |
4 |
|
|
1.384 |
4 |
5 |
|
|
1.380 |
5 |
6 |
|
|
1.385 |
1 |
6 |
C3F6 |
hexafluoropropene |
1.329 |
1 |
2 |
|
|
1.481 |
2 |
3 |