Species |
Name |
Bond Length (Å) |
Atom1 index |
Atom2 index |
OH |
Hydroxyl radical |
0.950 |
1 |
2 |
OH+ |
hydoxyl cation |
1.005 |
1 |
2 |
DO |
Hydroxyl-d |
0.950 |
1 |
2 |
H2O- |
water anion |
0.993 |
1 |
2 |
|
|
0.993 |
1 |
3 |
H2O |
Water |
0.940 |
1 |
2 |
|
|
0.940 |
1 |
3 |
H2O+ |
water cation |
0.979 |
1 |
2 |
|
|
0.979 |
1 |
3 |
D2O |
Deuterium oxide |
0.940 |
1 |
2 |
|
|
0.940 |
1 |
3 |
HDO |
Water-d1 |
0.940 |
1 |
2 |
|
|
0.940 |
1 |
3 |
LiOH |
lithium hydroxide |
0.930 |
1 |
3 |
HO2 |
Hydroperoxy radical |
0.946 |
1 |
3 |
BeOH |
beryllium monohydroxide |
0.932 |
1 |
3 |
NaOH |
sodium hydroxide |
0.932 |
1 |
3 |
MgOH |
magnesium hydroxide |
0.928 |
1 |
3 |
SOH+ |
Sulfur Monoxide, protonated |
0.959 |
2 |
3 |
KOH |
Potassium hydroxide |
0.934 |
2 |
3 |
HOF |
Hypofluorous acid |
0.945 |
1 |
2 |
HOCl |
hypochlorous acid |
0.943 |
1 |
2 |
HOCl+ |
hypochlorous acid cation |
0.965 |
1 |
2 |
DOCl |
Hypochlorous acid-d |
0.943 |
1 |
2 |
HOBr |
Hypobromous acid |
0.942 |
1 |
2 |
H2O2 |
Hydrogen peroxide |
0.942 |
1 |
3 |
|
|
0.942 |
2 |
4 |
H2OO |
water oxide |
0.944 |
1 |
3 |
|
|
0.944 |
1 |
4 |
HOSH |
hydrogen thioperoxide |
0.940 |
2 |
4 |
CH2OH |
Hydroxymethyl radical |
0.939 |
2 |
5 |
CH2OH+ |
hydroxymethyl cation |
0.957 |
2 |
5 |
NH2OH |
hydroxylamine |
0.938 |
2 |
3 |
NH2OH+ |
Hydroxylamine cation |
0.955 |
2 |
3 |
CH3OH+ |
Methyl alcohol cation |
0.969 |
2 |
6 |
NH3OH+ |
N-protonated hydroxylamine |
0.950 |
2 |
3 |
H2OH2O |
water dimer |
0.944 |
1 |
2 |
|
|
2.089 |
1 |
3 |
|
|
0.939 |
2 |
4 |
|
|
0.941 |
3 |
5 |
|
|
0.941 |
3 |
6 |
NH2OH2+ |
protonated hydroxylamine |
0.955 |
2 |
5 |
|
|
0.956 |
2 |
6 |
SiH3OH |
silanol |
0.937 |
2 |
6 |
H5O2+ |
Dihydroxonium ion |
1.181 |
1 |
2 |
|
|
1.181 |
1 |
3 |
|
|
0.947 |
2 |
4 |
|
|
0.947 |
2 |
5 |
|
|
0.947 |
3 |
6 |
|
|
0.947 |
3 |
7 |
HOCN |
cyanic acid |
0.945 |
3 |
4 |
HOCO |
Hydrocarboxyl radical |
0.942 |
2 |
4 |
HNO2 |
Nitrous acid |
0.943 |
1 |
2 |
O3H+ |
protonated ozone |
1.818 |
2 |
4 |
HCOOH |
Formic acid |
0.946 |
2 |
5 |
Be(OH)2 |
Beryllium hydroxide |
0.933 |
2 |
4 |
|
|
0.933 |
3 |
5 |
HCCOH |
ethynol |
0.943 |
3 |
5 |
H2COO |
Dioxymethyl radical |
1.967 |
1 |
3 |
|
|
1.951 |
1 |
4 |
H2COO+ |
dioxymethyl cation |
2.012 |
1 |
3 |
|
|
1.945 |
1 |
4 |
HOCHNH |
hydroxymethylimine |
0.939 |
2 |
5 |
CH2COH+ |
ketene, protonated |
0.962 |
3 |
6 |
CH2FOH |
fluoromethanol |
0.940 |
3 |
6 |
CH2CHOH |
ethenol |
0.940 |
3 |
7 |
CH3OOH |
Methyl peroxide |
0.942 |
3 |
7 |
NH2CHOH+ |
Formamide, O-protonated |
0.950 |
2 |
7 |
NH2CH2OH |
aminomethanol |
0.939 |
3 |
8 |
H2OCH3OH |
water methanol dimer |
0.945 |
1 |
2 |
|
|
2.057 |
1 |
3 |
|
|
0.939 |
2 |
4 |
|
|
0.939 |
3 |
5 |
CH3OHH2O |
methanol water dimer |
0.942 |
1 |
2 |
|
|
2.098 |
1 |
3 |
|
|
0.941 |
3 |
5 |
|
|
0.941 |
3 |
6 |
CH3CH2OH |
Ethanol |
0.938 |
3 |
4 |
HNO3 |
Nitric acid |
0.948 |
2 |
5 |
HClO3 |
Chloric Acid |
2.362 |
2 |
5 |
HOCH2CN |
cyanomethanol |
0.940 |
3 |
6 |
H3AlO3 |
Aluminum hydroxide |
0.935 |
2 |
5 |
|
|
0.935 |
3 |
6 |
|
|
0.935 |
4 |
7 |
HCOOHH2O |
Formic acid water dimer |
0.954 |
1 |
2 |
|
|
1.941 |
1 |
3 |
|
|
0.939 |
3 |
7 |
|
|
0.945 |
3 |
8 |
H2OHCOOH |
Water formic acid dimer 1 |
0.941 |
1 |
2 |
|
|
2.426 |
1 |
3 |
|
|
0.939 |
2 |
4 |
|
|
0.946 |
3 |
5 |
H2OHCOOH |
Water formic acid dimer 2 |
0.944 |
1 |
2 |
|
|
0.939 |
2 |
4 |
|
|
0.946 |
6 |
8 |
CH3COOH |
Acetic acid |
0.944 |
7 |
8 |
C3H4O |
2-Propyn-1-ol |
0.939 |
4 |
8 |
CHOCH2OH |
hydroxy acetaldehyde |
0.943 |
3 |
5 |
C3H4O |
allenol |
0.941 |
4 |
8 |
CH3CHNOH |
Acetaldoxime |
0.938 |
4 |
5 |
CH3C(OH)=NH |
Ethaninidic acid |
0.944 |
4 |
9 |
CH2FCH2OH |
2-fluoroethanol |
0.940 |
3 |
9 |
C2H6O2 |
1,2-Ethanediol |
0.938 |
3 |
5 |
|
|
0.938 |
4 |
6 |
C3H6O |
Acetone enol |
0.940 |
4 |
10 |
H2OCH3OCH3 |
water dimethylether dimer |
0.945 |
1 |
2 |
|
|
2.045 |
1 |
3 |
|
|
0.939 |
2 |
6 |
CH3CHOHCH3 |
Isopropyl alcohol |
0.939 |
4 |
12 |
C3H7OH |
1-Propanol |
0.938 |
4 |
12 |
HSO3F |
Fluorosulfonic acid |
0.947 |
1 |
2 |
H2SO4 |
Sulfuric acid |
0.946 |
5 |
6 |
|
|
0.946 |
4 |
7 |
C3H4O2 |
2-Propenoic acid |
0.944 |
1 |
2 |
C3H4O2 |
propenalol |
0.952 |
5 |
6 |
H2NCH2COOH |
Glycine |
0.945 |
3 |
6 |
C3H8O2 |
Propylene glycol |
0.941 |
1 |
2 |
|
|
0.939 |
3 |
4 |
C3H8O2 |
1,3-Propanediol |
0.938 |
6 |
8 |
|
|
0.938 |
7 |
9 |
C4H8O |
Cyclobutanol |
0.939 |
5 |
13 |
C3H8O2 |
Hydroperoxide, 1-methylethyl |
0.941 |
1 |
2 |
C4H10O |
Ethanol, 1,1-dimethyl- |
0.939 |
14 |
15 |
C4H10O |
2-Butanol, (.+/-.)- |
0.940 |
1 |
2 |
C2H3NO3 |
Oxamic acid |
0.945 |
5 |
9 |
C4H6OS |
4,5-dihydrothiophene-3-ol |
0.939 |
6 |
12 |
C4H6OS |
2,5-dihydrothiophene-3-ol |
0.940 |
6 |
12 |
C4H6OS |
4,5-dihydrothiophene-2-ol |
0.941 |
6 |
12 |
C4H6OS |
2,3-dihydrothiophene-2-ol |
0.939 |
6 |
12 |
HCONH2CN2H4 |
formamide aminomethanimine dimer |
2.059 |
5 |
8 |
CH3CH(NH2)COOH |
Alanine |
0.948 |
5 |
13 |
NH2CH2CH2COOH |
β–alanine |
0.951 |
5 |
13 |
CH3NHCH2COOH |
Sarcosine |
0.947 |
5 |
13 |
C3H8O3 |
1,2,3-Propanetriol |
0.938 |
9 |
10 |
|
|
0.938 |
11 |
12 |
|
|
0.941 |
13 |
14 |
C5H10O |
Cyclopentanol |
0.939 |
15 |
16 |
C4H10O2 |
1,3-Butanediol |
0.939 |
1 |
2 |
|
|
0.938 |
3 |
4 |
C4H10O2 |
1,4-Butanediol |
0.938 |
1 |
7 |
|
|
0.938 |
2 |
8 |
C4H11NO |
Diethylhydroxylamine |
0.947 |
2 |
3 |
C5H12O |
1-Pentanol |
0.938 |
1 |
2 |
C5H12O |
1-Butanol, 3-methyl- |
0.938 |
15 |
16 |
C5H12O |
1-Butanol, 2-methyl- |
0.938 |
5 |
6 |
C5H12O |
2-Butanol, 3-methyl- |
0.939 |
9 |
10 |
C5H12O |
2-Pentanol |
0.939 |
5 |
6 |
C5H5NO |
3-Pyridinol |
0.940 |
7 |
12 |
C5H5NO |
2-Pyridinol |
0.943 |
7 |
12 |
C5H5NO |
4-Pyridinol |
0.940 |
7 |
12 |
C6H5OH |
phenol |
0.939 |
7 |
8 |
C6H5COOH |
benzoic acid |
0.944 |
9 |
15 |