Species |
Name |
Bond Length (Å) |
Atom1 index |
Atom2 index |
OH- |
hydroxide anion |
0.981 |
1 |
2 |
OH |
Hydroxyl radical |
0.991 |
1 |
2 |
OH+ |
hydoxyl cation |
1.057 |
1 |
2 |
H2O- |
water anion |
0.989 |
1 |
2 |
|
|
0.989 |
1 |
3 |
H2O |
Water |
0.975 |
1 |
2 |
|
|
0.975 |
1 |
3 |
H2O+ |
water cation |
1.021 |
1 |
2 |
|
|
1.021 |
1 |
3 |
D2O |
Deuterium oxide |
0.975 |
1 |
2 |
|
|
0.975 |
1 |
3 |
HDO |
Water-d1 |
0.975 |
1 |
2 |
|
|
0.975 |
1 |
3 |
H3O+ |
hydronium cation |
0.992 |
1 |
2 |
|
|
0.992 |
1 |
3 |
|
|
0.992 |
1 |
4 |
LiOH |
lithium hydroxide |
0.964 |
1 |
3 |
HO2 |
Hydroperoxy radical |
0.993 |
1 |
3 |
HO2+ |
Hydroperoxy cation |
1.034 |
1 |
3 |
BeOH |
beryllium monohydroxide |
0.966 |
1 |
3 |
NOH |
Hydroxyimidogen |
0.989 |
2 |
3 |
NOH+ |
O-protonated nitric oxide |
1.044 |
2 |
3 |
COH+ |
Carbon Monoxide, protonated |
1.011 |
2 |
3 |
NaOH |
sodium hydroxide |
0.971 |
1 |
3 |
MgOH |
magnesium hydroxide |
0.969 |
1 |
3 |
SOH+ |
Sulfur Monoxide, protonated |
1.000 |
2 |
3 |
HOF |
Hypofluorous acid |
0.987 |
1 |
2 |
HOCl |
hypochlorous acid |
0.983 |
1 |
2 |
HOCl+ |
hypochlorous acid cation |
1.009 |
1 |
2 |
DOCl |
Hypochlorous acid-d |
0.983 |
1 |
2 |
H2O2 |
Hydrogen peroxide |
0.982 |
1 |
3 |
|
|
0.982 |
2 |
4 |
H2OO |
water oxide |
0.983 |
1 |
3 |
|
|
0.983 |
1 |
4 |
HOSH |
hydrogen thioperoxide |
0.979 |
2 |
4 |
CH2OH |
Hydroxymethyl radical |
0.975 |
2 |
5 |
CH2OH+ |
hydroxymethyl cation |
0.997 |
2 |
5 |
NH2OH |
hydroxylamine |
0.976 |
2 |
3 |
NH2OH+ |
Hydroxylamine cation |
0.996 |
2 |
3 |
CH3OH+ |
Methyl alcohol cation |
0.999 |
2 |
6 |
NH3OH+ |
N-protonated hydroxylamine |
0.988 |
2 |
3 |
H2OH2O |
water dimer |
0.984 |
1 |
2 |
|
|
1.963 |
1 |
3 |
|
|
0.974 |
2 |
4 |
|
|
0.976 |
3 |
5 |
|
|
0.976 |
3 |
6 |
NH2OH2+ |
protonated hydroxylamine |
0.991 |
2 |
5 |
|
|
0.993 |
2 |
6 |
SiH3OH |
silanol |
0.973 |
2 |
6 |
H5O2+ |
Dihydroxonium ion |
1.217 |
1 |
2 |
|
|
1.217 |
1 |
3 |
|
|
0.981 |
2 |
4 |
|
|
0.981 |
2 |
5 |
|
|
0.981 |
3 |
6 |
|
|
0.981 |
3 |
7 |
HOCO |
Hydrocarboxyl radical |
0.980 |
2 |
4 |
HNO2 |
Nitrous acid |
0.983 |
1 |
2 |
O3H+ |
protonated ozone |
1.009 |
2 |
4 |
NNOH+ |
Nitrous Oxide, O-protonated |
1.006 |
3 |
4 |
SO2H+ |
protonated sulfur dioxide |
1.001 |
2 |
4 |
HCOOH |
Formic acid |
0.984 |
2 |
5 |
Be(OH)2 |
Beryllium hydroxide |
0.966 |
2 |
4 |
|
|
0.966 |
3 |
5 |
H2COO |
Dioxymethyl radical |
2.057 |
1 |
3 |
|
|
2.005 |
1 |
4 |
H2COO+ |
dioxymethyl cation |
2.074 |
1 |
3 |
|
|
1.985 |
1 |
4 |
CH2NOH |
formaldoxime |
0.977 |
3 |
6 |
HOCHNH |
hydroxymethylimine |
0.976 |
2 |
5 |
CH2COH+ |
ketene, protonated |
1.000 |
3 |
6 |
CH2BOH |
hydroxy(methylene)borane |
0.977 |
3 |
6 |
CH2FOH |
fluoromethanol |
0.977 |
3 |
6 |
CH3OOH |
Methyl peroxide |
0.981 |
3 |
7 |
NH2CHOH+ |
Formamide, O-protonated |
0.987 |
2 |
7 |
CH3CHOH |
1-hydroxy-ethyl radical |
0.975 |
3 |
8 |
CH3CHOH+ |
acetaldehyde, protonated |
0.991 |
3 |
8 |
NH2CH2OH |
aminomethanol |
0.976 |
3 |
8 |
CH3CH2OH |
Ethanol |
0.974 |
3 |
4 |
HNO3 |
Nitric acid |
0.985 |
2 |
5 |
HClO3 |
Chloric Acid |
2.710 |
2 |
5 |
HOCH2CN |
cyanomethanol |
0.977 |
3 |
6 |
H3AlO3 |
Aluminum hydroxide |
0.971 |
2 |
5 |
|
|
0.971 |
3 |
6 |
|
|
0.971 |
4 |
7 |
CH3COOH |
Acetic acid |
0.982 |
7 |
8 |
NH3COOH+ |
protonated Carbamic acid |
0.988 |
4 |
7 |
NH2COOH2+ |
Carbamic acid, O-protonated |
0.985 |
4 |
7 |
|
|
0.983 |
2 |
8 |
CH3CHNOH |
Acetaldoxime |
0.976 |
4 |
5 |
CH3C(OH)=NH |
Ethaninidic acid |
0.982 |
4 |
9 |
H2NCOHNH2+ |
urea, protonated |
0.980 |
2 |
5 |
CH2FCH2OH |
2-fluoroethanol |
0.977 |
3 |
9 |
CH2ClCH2OH |
2-Chloroethanol |
0.974 |
4 |
9 |
C2H6O2 |
1,2-Ethanediol |
0.974 |
3 |
5 |
|
|
0.974 |
4 |
6 |
C3H5OH |
Cyclopropanol |
0.976 |
4 |
10 |
C3H6O |
Acetone enol |
0.977 |
4 |
10 |
CH2ClCH2OH2+ |
2-chloroethanol, protonated |
0.986 |
4 |
9 |
|
|
0.986 |
4 |
10 |
CH3CHOHCH3 |
Isopropyl alcohol |
0.975 |
4 |
12 |
C3H7OH |
1-Propanol |
0.974 |
4 |
12 |
HSO3F |
Fluorosulfonic acid |
0.985 |
1 |
2 |
H2SO4 |
Sulfuric acid |
0.984 |
5 |
6 |
|
|
0.984 |
4 |
7 |
C3H4O2 |
2-Propenoic acid |
0.981 |
1 |
2 |
H2NCH2COOH |
Glycine |
0.982 |
3 |
6 |
C3H8O2 |
Propylene glycol |
0.979 |
1 |
2 |
|
|
0.976 |
3 |
4 |
C4H8O |
Cyclobutanol |
0.976 |
5 |
13 |
C3H8O2 |
Hydroperoxide, 1-methylethyl |
0.981 |
1 |
2 |
C4H10O |
Ethanol, 1,1-dimethyl- |
0.976 |
14 |
15 |
C4H10O |
2-Butanol, (.+/-.)- |
0.977 |
1 |
2 |
C2H2O4 |
Oxalic Acid |
0.990 |
3 |
7 |
|
|
0.990 |
4 |
8 |
C2H3NO3 |
Oxamic acid |
0.983 |
5 |
9 |
C2H4O4 |
Formic acid dimer |
1.021 |
6 |
9 |
|
|
1.021 |
5 |
10 |
CH3CH(NH2)COOH |
Alanine |
1.001 |
5 |
13 |
NH2CH2CH2COOH |
β–alanine |
1.009 |
5 |
13 |
CH3NHCH2COOH |
Sarcosine |
1.000 |
5 |
13 |
C3H8O3 |
1,2,3-Propanetriol |
0.974 |
9 |
10 |
|
|
0.973 |
11 |
12 |
|
|
0.979 |
13 |
14 |
C4H8O2 |
Butanoic acid |
0.982 |
5 |
14 |
C5H10O |
Cyclopentanol |
0.975 |
15 |
16 |
C4H10O2 |
1,3-Butanediol |
0.975 |
1 |
2 |
|
|
0.974 |
3 |
4 |
C4H10O2 |
1,4-Butanediol |
0.974 |
1 |
7 |
|
|
0.974 |
2 |
8 |
C4H11NO |
Diethylhydroxylamine |
0.991 |
2 |
3 |
C5H12O |
1-Pentanol |
0.974 |
1 |
2 |
C5H12O |
1-Butanol, 3-methyl- |
0.974 |
15 |
16 |
C5H12O |
1-Butanol, 2-methyl- |
0.974 |
5 |
6 |
C5H12O |
3-Pentanol |
0.974 |
6 |
18 |
C5H12O |
2-Butanol, 3-methyl- |
0.975 |
9 |
10 |
C5H12O |
2-Pentanol |
0.975 |
5 |
6 |
C6H5OH |
phenol |
0.976 |
7 |
8 |