Species |
Name |
Bond Length (Å) |
Atom1 index |
Atom2 index |
OH |
Hydroxyl radical |
0.983 |
1 |
2 |
DO |
Hydroxyl-d |
0.983 |
1 |
2 |
H2O |
Water |
0.968 |
1 |
2 |
|
|
0.968 |
1 |
3 |
D2O |
Deuterium oxide |
0.968 |
1 |
2 |
|
|
0.968 |
1 |
3 |
HDO |
Water-d1 |
0.968 |
1 |
2 |
|
|
0.968 |
1 |
3 |
LiOH |
lithium hydroxide |
0.959 |
1 |
3 |
HO2 |
Hydroperoxy radical |
0.983 |
1 |
3 |
BeOH |
beryllium monohydroxide |
0.963 |
1 |
3 |
NaOH |
sodium hydroxide |
0.962 |
1 |
3 |
MgOH |
magnesium hydroxide |
0.959 |
1 |
3 |
HOF |
Hypofluorous acid |
0.979 |
1 |
2 |
HOCl |
hypochlorous acid |
0.975 |
1 |
2 |
DOCl |
Hypochlorous acid-d |
0.975 |
1 |
2 |
H2O2 |
Hydrogen peroxide |
0.974 |
1 |
3 |
|
|
0.974 |
2 |
4 |
CH2OH |
Hydroxymethyl radical |
0.969 |
2 |
5 |
NH2OH |
hydroxylamine |
0.969 |
2 |
3 |
CH3OH |
Methyl alcohol |
0.968 |
2 |
6 |
H2OH2O |
water dimer |
0.972 |
1 |
2 |
|
|
2.264 |
1 |
3 |
|
|
0.968 |
2 |
4 |
|
|
0.968 |
3 |
5 |
|
|
0.972 |
3 |
6 |
HOCN |
cyanic acid |
0.974 |
3 |
4 |
HNO2 |
Nitrous acid |
0.975 |
1 |
2 |
HCOOH |
Formic acid |
0.976 |
2 |
5 |
HCCOH |
ethynol |
0.972 |
3 |
5 |
H2OH2CO |
water formaldehyde dimer |
0.974 |
1 |
2 |
|
|
2.055 |
1 |
3 |
|
|
0.968 |
2 |
4 |
CH2CHOH |
ethenol |
0.970 |
3 |
7 |
CH3OOH |
Methyl peroxide |
0.974 |
3 |
7 |
H2OCH3OH |
water methanol dimer |
0.977 |
1 |
2 |
|
|
1.926 |
1 |
3 |
|
|
0.967 |
2 |
4 |
|
|
0.968 |
3 |
5 |
CH3OHH2O |
methanol water dimer |
0.975 |
1 |
2 |
|
|
1.928 |
1 |
3 |
|
|
0.969 |
3 |
5 |
|
|
0.969 |
3 |
6 |
CH3CH2OH |
Ethanol |
0.968 |
3 |
4 |
HNO3 |
Nitric acid |
0.978 |
2 |
5 |
HCOOHH2O |
Formic acid water dimer |
0.999 |
1 |
2 |
|
|
1.749 |
1 |
3 |
|
|
0.969 |
3 |
7 |
|
|
0.977 |
3 |
8 |
H2OHCOOH |
Water formic acid dimer 1 |
0.970 |
1 |
2 |
|
|
2.254 |
1 |
3 |
|
|
0.968 |
2 |
4 |
|
|
0.976 |
3 |
5 |
CH3COOH |
Acetic acid |
0.975 |
7 |
8 |
C3H4O |
2-Propyn-1-ol |
0.969 |
4 |
8 |
CHOCH2OH |
hydroxy acetaldehyde |
0.976 |
3 |
5 |
C3H4O |
allenol |
0.970 |
4 |
8 |
CH3CHNOH |
Acetaldoxime |
0.969 |
4 |
5 |
H2OCH3OCH3 |
water dimethylether dimer |
0.976 |
1 |
2 |
|
|
1.944 |
1 |
3 |
|
|
0.967 |
2 |
6 |
CH3CHOHCH3 |
Isopropyl alcohol |
0.969 |
4 |
12 |
HSO3F |
Fluorosulfonic acid |
0.977 |
1 |
2 |
H2SO4 |
Sulfuric acid |
0.976 |
4 |
7 |
|
|
0.976 |
5 |
6 |
C3H4O2 |
2-Propenoic acid |
0.974 |
1 |
2 |
C3H4O2 |
propenalol |
1.005 |
5 |
6 |
H2NCH2COOH |
Glycine |
0.975 |
3 |
6 |
C3H8O2 |
Propylene glycol |
0.973 |
1 |
2 |
|
|
0.970 |
3 |
4 |
C3H8O2 |
1,3-Propanediol |
0.968 |
6 |
8 |
|
|
0.968 |
7 |
9 |
C4H8O |
Cyclobutanol |
0.969 |
5 |
13 |
C3H8O2 |
Hydroperoxide, 1-methylethyl |
0.974 |
1 |
2 |
C4H10O |
Ethanol, 1,1-dimethyl- |
0.970 |
14 |
15 |
C4H10O |
1-Propanol, 2-methyl- |
0.968 |
5 |
15 |
C4H10O |
2-Butanol, (.+/-.)- |
0.970 |
1 |
2 |
C2H3NO3 |
Oxamic acid |
0.975 |
5 |
9 |
C4H6OS |
4,5-dihydrothiophene-3-ol |
0.968 |
6 |
12 |
C4H6OS |
2,5-dihydrothiophene-3-ol |
0.970 |
6 |
12 |
C4H6OS |
4,5-dihydrothiophene-2-ol |
0.970 |
6 |
12 |
C4H6OS |
2,3-dihydrothiophene-2-ol |
0.970 |
6 |
12 |
HCONH2CN2H4 |
formamide aminomethanimine dimer |
1.910 |
5 |
8 |
CH3CH(NH2)COOH |
Alanine |
0.992 |
5 |
13 |
NH2CH2CH2COOH |
β–alanine |
1.000 |
5 |
13 |
CH3NHCH2COOH |
Sarcosine |
0.991 |
5 |
13 |
C3H8O3 |
1,2,3-Propanetriol |
0.968 |
9 |
10 |
|
|
0.967 |
11 |
12 |
|
|
0.973 |
13 |
14 |
C5H10O |
Cyclopentanol |
0.968 |
15 |
16 |
C4H10O2 |
1,3-Butanediol |
0.969 |
1 |
2 |
|
|
0.968 |
3 |
4 |
C4H10O2 |
1,4-Butanediol |
0.968 |
1 |
7 |
|
|
0.968 |
2 |
8 |
C4H11NO |
Diethylhydroxylamine |
0.982 |
2 |
3 |
C5H12O |
1-Pentanol |
0.968 |
1 |
2 |
C5H12O |
1-Butanol, 3-methyl- |
0.968 |
15 |
16 |
C5H12O |
1-Butanol, 2-methyl- |
0.968 |
5 |
6 |
C5H12O |
2-Butanol, 3-methyl- |
0.968 |
9 |
10 |
C5H12O |
2-Pentanol |
0.969 |
5 |
6 |
C5H5NO |
3-Pyridinol |
0.970 |
7 |
12 |
C5H5NO |
2-Pyridinol |
0.974 |
7 |
12 |
C5H5NO |
4-Pyridinol |
0.970 |
7 |
12 |
C6H5OH |
phenol |
0.969 |
7 |
8 |
C6H5COOH |
benzoic acid |
0.975 |
9 |
15 |