Species |
Name |
Bond Length (Å) |
Atom1 index |
Atom2 index |
OH- |
hydroxide anion |
0.963 |
1 |
2 |
OH |
Hydroxyl radical |
0.953 |
1 |
2 |
OH+ |
hydoxyl cation |
1.001 |
1 |
2 |
H2O- |
water anion |
1.047 |
1 |
2 |
|
|
1.047 |
1 |
3 |
H2O |
Water |
0.942 |
1 |
2 |
|
|
0.942 |
1 |
3 |
H2O+ |
water cation |
0.980 |
1 |
2 |
|
|
0.980 |
1 |
3 |
HDO |
Water-d1 |
0.942 |
1 |
2 |
|
|
0.942 |
1 |
3 |
H3O+ |
hydronium cation |
0.962 |
1 |
2 |
|
|
0.962 |
1 |
3 |
|
|
0.962 |
1 |
4 |
LiOH |
lithium hydroxide |
0.933 |
1 |
3 |
HO2 |
Hydroperoxy radical |
0.947 |
1 |
3 |
HO2+ |
Hydroperoxy cation |
0.990 |
1 |
3 |
BeOH |
beryllium monohydroxide |
0.935 |
1 |
3 |
NOH |
Hydroxyimidogen |
0.949 |
2 |
3 |
NOH+ |
O-protonated nitric oxide |
0.991 |
2 |
3 |
COH |
Hydroxymethylidyne |
0.954 |
2 |
3 |
COH+ |
Carbon Monoxide, protonated |
0.978 |
2 |
3 |
MgOH |
magnesium hydroxide |
0.932 |
1 |
3 |
SOH |
Sulfur Hydroxide |
0.945 |
2 |
3 |
SOH+ |
Sulfur Monoxide, protonated |
0.963 |
2 |
3 |
KOH |
Potassium hydroxide |
0.939 |
2 |
3 |
HOF |
Hypofluorous acid |
0.947 |
1 |
2 |
HOCl |
hypochlorous acid |
0.946 |
1 |
2 |
HOCl+ |
hypochlorous acid cation |
0.969 |
1 |
2 |
HOBr |
Hypobromous acid |
0.945 |
1 |
2 |
HOBr+ |
Hypobromous acid cation |
0.961 |
1 |
2 |
H2O2 |
Hydrogen peroxide |
0.943 |
1 |
3 |
|
|
0.943 |
2 |
4 |
H2O2+ |
Hydrogen peroxide cation |
0.972 |
1 |
3 |
|
|
0.972 |
2 |
4 |
HOCH |
hydroxycarbene |
0.945 |
2 |
4 |
H2OO |
water oxide |
0.945 |
1 |
3 |
|
|
0.945 |
1 |
4 |
HOSH |
hydrogen thioperoxide |
0.944 |
2 |
4 |
CH2OH |
Hydroxymethyl radical |
0.942 |
2 |
5 |
CH2OH+ |
hydroxymethyl cation |
0.959 |
2 |
5 |
NH2OH |
hydroxylamine |
0.941 |
2 |
3 |
NH2OH+ |
Hydroxylamine cation |
0.957 |
2 |
3 |
H3O2+ |
hydrogen peroxide, protonated |
0.959 |
1 |
3 |
|
|
0.966 |
2 |
4 |
|
|
0.966 |
2 |
5 |
H2POH |
Phosphinous acid |
0.942 |
2 |
3 |
CH3OH- |
Methyl alcohol anion |
1.040 |
2 |
6 |
CH3OH |
Methyl alcohol |
0.942 |
2 |
6 |
CH3OH+ |
Methyl alcohol cation |
0.970 |
2 |
6 |
NH3OH+ |
N-protonated hydroxylamine |
0.952 |
2 |
3 |
H2OH2O |
water dimer |
0.948 |
1 |
2 |
|
|
1.976 |
1 |
3 |
|
|
0.943 |
2 |
4 |
|
|
0.946 |
3 |
5 |
|
|
0.946 |
3 |
6 |
NH2OH2+ |
protonated hydroxylamine |
0.958 |
2 |
5 |
|
|
0.959 |
2 |
6 |
SiH3OH |
silanol |
0.940 |
2 |
6 |
CH3OH2+ |
Methanol, protonated |
0.957 |
2 |
6 |
|
|
0.957 |
2 |
7 |
H5O2+ |
Dihydroxonium ion |
1.193 |
1 |
2 |
|
|
1.193 |
1 |
3 |
|
|
0.952 |
2 |
4 |
|
|
0.952 |
2 |
5 |
|
|
0.952 |
3 |
6 |
|
|
0.952 |
3 |
7 |
HOCO |
Hydrocarboxyl radical |
0.944 |
2 |
4 |
O3H+ |
protonated ozone |
1.831 |
2 |
4 |
NNOH+ |
Nitrous Oxide, O-protonated |
0.969 |
3 |
4 |
SO2H+ |
protonated sulfur dioxide |
0.967 |
2 |
4 |
HOClO |
Chlorous acid |
0.950 |
2 |
4 |
HCOOH |
Formic acid |
0.948 |
2 |
5 |
Be(OH)2 |
Beryllium hydroxide |
0.936 |
2 |
4 |
|
|
0.936 |
3 |
5 |
H2O3 |
Hydrogen trioxide |
0.954 |
2 |
4 |
|
|
0.954 |
3 |
5 |
H2COO |
Dioxymethyl radical |
1.972 |
1 |
3 |
|
|
1.959 |
1 |
4 |
H2COO+ |
dioxymethyl cation |
2.016 |
1 |
3 |
|
|
1.947 |
1 |
4 |
Mg(OH)2 |
Magnesium dihydroxide |
0.934 |
2 |
4 |
|
|
0.934 |
3 |
5 |
CH2NOH |
formaldoxime |
0.942 |
3 |
6 |
CH2OOH |
CH2OOH radical |
0.945 |
3 |
6 |
HOCHNH |
hydroxymethylimine |
0.948 |
2 |
5 |
CH2COH+ |
ketene, protonated |
0.964 |
3 |
6 |
CH2BOH |
hydroxy(methylene)borane |
0.945 |
3 |
6 |
CH2FOH |
fluoromethanol |
0.944 |
3 |
6 |
CH2(OH)2 |
methanediol |
0.944 |
2 |
6 |
|
|
0.944 |
3 |
7 |
H2CONH2+ |
protonated formamide |
0.953 |
2 |
7 |
NH2CHOH+ |
Formamide, O-protonated |
0.953 |
2 |
7 |
CH3CHOH |
1-hydroxy-ethyl radical |
0.942 |
3 |
8 |
CH3CHOH+ |
acetaldehyde, protonated |
0.956 |
3 |
8 |
NH2CH2OH |
aminomethanol |
0.943 |
3 |
8 |
CH2CH2OH |
2-hydroxy ethyl radical |
0.941 |
1 |
4 |
C2H4OH+ |
ethylene oxide, protonated |
0.956 |
1 |
2 |
HNO3 |
Nitric acid |
0.949 |
2 |
5 |
HSO3 |
Hydroxysulfonyl radical |
0.953 |
2 |
5 |
HClO3 |
Chloric Acid |
2.420 |
2 |
5 |
H2CO3 |
Carbonic acid |
0.945 |
3 |
5 |
|
|
0.945 |
4 |
6 |
H2NO3+ |
Nitric Acid, Protonated |
0.963 |
3 |
5 |
|
|
0.963 |
4 |
6 |
H2SO3 |
Sulfurous acid |
0.952 |
3 |
5 |
|
|
0.952 |
4 |
6 |
HOCH2CN |
cyanomethanol |
0.943 |
3 |
6 |
NH2COOH |
Carbamic acid |
0.945 |
4 |
7 |
H3CO3+ |
carbonic acid, protonated |
0.956 |
2 |
5 |
|
|
0.956 |
3 |
6 |
|
|
0.956 |
4 |
7 |
H3AlO3 |
Aluminum hydroxide |
0.938 |
2 |
5 |
|
|
0.938 |
3 |
6 |
|
|
0.938 |
4 |
7 |
NH3COOH+ |
protonated Carbamic acid |
0.954 |
4 |
7 |
NH2COOH2+ |
Carbamic acid, O-protonated |
0.951 |
2 |
8 |
|
|
0.953 |
4 |
7 |
CH3C(OH)=NH |
Ethaninidic acid |
0.947 |
4 |
9 |
CH2C(OH)NH2 |
1-amino vinyl alchohol |
0.942 |
4 |
9 |
H2NCOHNH2+ |
urea, protonated |
0.948 |
2 |
5 |
CH2FCH2OH |
2-fluoroethanol |
0.944 |
3 |
9 |
CH2ClCH2OH |
2-Chloroethanol |
0.941 |
4 |
9 |
C3H6O |
2-Propen-1-ol |
0.942 |
4 |
10 |
C3H5OH |
Cyclopropanol |
0.943 |
4 |
10 |
C3H6O |
Acetone enol |
0.943 |
4 |
10 |
CH2ClCH2OH2+ |
2-chloroethanol, protonated |
0.956 |
4 |
9 |
|
|
0.956 |
4 |
10 |
HOCH2CH2NH2 |
monoethanolamine |
0.946 |
4 |
11 |
C3H7OH |
1-Propanol |
0.942 |
4 |
12 |
HOONO2 |
peroxy nitric acid |
0.948 |
3 |
6 |
HSO4- |
bisulfate anion |
0.945 |
2 |
6 |
CF3OH |
trifluoromethanol |
0.945 |
2 |
6 |
HClO4 |
perchloric acid |
0.955 |
3 |
6 |
CHOCOOH |
oxo acetic acid |
0.948 |
5 |
7 |
C3H2O2 |
Propiolic acid |
0.949 |
4 |
7 |
H2SeO4 |
Selenic acid |
0.950 |
4 |
6 |
|
|
0.950 |
5 |
7 |
H3PO4 |
Phosphoric Acid |
0.947 |
3 |
6 |
|
|
0.947 |
4 |
7 |
|
|
0.947 |
5 |
8 |
C3H4O2 |
2-Propenoic acid |
0.947 |
1 |
2 |
HOCH2COOH |
Hydroxyacetic acid |
0.948 |
3 |
9 |
|
|
0.946 |
5 |
8 |
HOCHCCHOH |
allenediol |
0.944 |
4 |
8 |
|
|
0.944 |
5 |
9 |
CH3CH2COOH |
Propanoic Acid |
0.948 |
4 |
11 |
C3H8O2 |
1,3-Propanediol |
0.942 |
6 |
8 |
|
|
0.944 |
7 |
9 |
C4H10O |
1-Butanol |
0.942 |
5 |
15 |
C4H10O |
Ethanol, 1,1-dimethyl- |
0.943 |
14 |
15 |
C2H2O4 |
Oxalic Acid |
0.951 |
3 |
7 |
|
|
0.951 |
4 |
8 |
C2H3NO3 |
Oxamic acid |
0.950 |
5 |
9 |
C4H6O2 |
Crotonic Acid |
0.947 |
5 |
12 |
C4H8O2 |
Butanoic acid |
0.947 |
5 |
14 |
HO2CCHNH2CH2OH |
Serine |
0.948 |
2 |
8 |
|
|
0.944 |
6 |
12 |
C5H9NO2 |
Proline |
0.948 |
8 |
17 |
C6H12O2 |
Hexanoic acid |
0.947 |
7 |
20 |
C8H18O |
1-Octanol |
0.942 |
9 |
27 |
C6H12O6 |
Inositol |
0.943 |
7 |
19 |
|
|
0.943 |
8 |
20 |
|
|
0.943 |
9 |
21 |
|
|
0.943 |
10 |
22 |
|
|
0.943 |
11 |
23 |
|
|
0.943 |
12 |
24 |