Molecules with the most calculations producing poor bond lengths
The following table lists molecules sorted by how many calculations produced bond lengths
that differ from experiment by more than 0.050 Å.
Click on a name for a table of bond length comparisons.
molecule |
name |
poor calculations |
bond description |
Na2 |
Sodium diatomic |
922 |
rNaNa |
SiP |
Silicon monophosphide |
624 |
rSiP |
C4H10O |
Methyl propyl ether |
528 |
rCC |
C4H10O |
Methyl propyl ether |
528 |
rCH |
NaLi |
lithium sodium |
524 |
rLiNa |
Mg2 |
Magnesium diatomic |
516 |
rMgMg |
Cl2 |
Chlorine diatomic |
505 |
rClCl |
C4H8O2 |
Ethyl acetate |
502 |
rCO |
He2+ |
helium diatomic cation |
498 |
rHeHe |
CaO |
Calcium monoxide |
461 |
rOCa |
Al2Cl6 |
Aluminum, di-μ-chlorotetrachlorodi- |
457 |
rAlCl |
Li2 |
Lithium diatomic |
409 |
rLiLi |
GaAs |
Gallium arsenide |
402 |
rGaAs |
Al2 |
Aluminum diatomic |
401 |
rAlAl |
CaH |
Calcium monohydride |
393 |
rCaH |
HSSSH |
trisulfane |
377 |
rHS |
SCl |
sulfur monochloride |
374 |
rSCl |
O2 |
Oxygen diatomic |
366 |
rOO |
SO |
Sulfur monoxide |
362 |
rSO |
Be2 |
Beryllium diatomic |
354 |
rBeBe |
SF4 |
Sulfur tetrafluoride |
325 |
rSF |
KH |
Potassium hydride |
325 |
rKH |
BrO |
Bromine monoxide |
313 |
rOBr |
CaBr |
Calcium monobromide |
310 |
rCaBr |
NCl |
nitrogen monochloride |
307 |
rNCl |
ClOF3 |
Chlorine trifluoride oxide |
304 |
rFCl |
Cl2+ |
chlorine diatomic cation |
281 |
rClCl |
CaC |
Calcium monocarbide |
281 |
rCCa |
CFCl |
chlorofluoromethylene |
267 |
rCCl |
ClF3 |
Chlorine trifluoride |
263 |
rFCl |
BrCl |
Bromine monochloride |
258 |
rClBr |
Ne2 |
Neon diatomic |
256 |
rNeNe |
N2 |
Nitrogen diatomic |
255 |
rNN |
LiCl |
lithium chloride |
246 |
rLiCl |
PO |
Phosphorus monoxide |
244 |
rPO |
SF4 |
Sulfur tetrafluoride |
243 |
rSF |
NO |
Nitric oxide |
241 |
rNO |
SF |
Monosulfur monofluoride |
237 |
rSF |
BF |
Boron monofluoride |
237 |
rBF |
SiCl |
Clorosilylidyne |
235 |
rSiCl |
SiF2 |
Silicon difluoride |
228 |
rFSi |
SO |
Sulfur monoxide |
228 |
rOS |
PS |
phosphorus sulfide |
227 |
rPS |
ClO |
Monochlorine monoxide |
225 |
rClO |
ClF |
Chlorine monofluoride |
224 |
rFCl |
F2 |
Fluorine diatomic |
224 |
rFF |
C2H6O2S |
Dimethyl sulfone |
224 |
rSO |
SSO |
Disulfur monoxide |
223 |
rSS |
GeCl |
Germanium monochloride |
223 |
rClGe |
SOF4 |
Sulfur tetrafluoride oxide |
222 |
rFS |
Br2 |
Bromine diatomic |
222 |
rBrBr |
SSO |
Disulfur monoxide |
215 |
rSO |
SCl2 |
Sulfur dichloride |
214 |
rSCl |
SiH3F |
monofluorosilane |
210 |
rSiF |
SO+ |
sulfur monoxide cation |
209 |
rOS |
LiH |
Lithium Hydride |
203 |
rLiH |
PF5 |
Phosphorus pentafluoride |
201 |
rPF |
Se2 |
Selenium diatomic |
201 |
rSeSe |
PF2 |
Phosphorus difluoride |
196 |
rPF |
LiK |
Lithium Potassium |
195 |
rLiK |
S2 |
Sulfur diatomic |
193 |
rSS |
ClF3 |
Chlorine trifluoride |
192 |
rFCl |
HNO3 |
Nitric acid |
191 |
rNO |
OPCl |
Phosphorus oxychloride |
189 |
rPCl |
LiBr |
Lithium Bromide |
187 |
rLiBr |
ClOF3 |
Chlorine trifluoride oxide |
187 |
rFCl |
HOCl |
hypochlorous acid |
185 |
rClO |
HClO4 |
perchloric acid |
185 |
rOCl |
SiF |
silicon monofluoride |
185 |
rSiF |
Si2 |
Silicon diatomic |
184 |
rSiSi |
CaCl |
calcium monochloride |
184 |
rClCa |
SeO |
Selenium monoxide |
181 |
rSeO |
BrF |
Bromine monofluoride |
178 |
rFBr |
ClFO3 |
Perchloryl fluoride |
174 |
rFCl |
O2+ |
diatomic oxygen cation |
172 |
rOO |
LiO |
lithium oxide |
170 |
rLiO |
HClO4 |
perchloric acid |
169 |
rOCl |
SeO2 |
Selenium dioxide |
167 |
rSeO |
GaBr |
Gallium monobromide |
166 |
rGaBr |
HSiCl |
Chlorosilylene |
165 |
rSiCl |
SiH2Cl2 |
dichlorosilane |
164 |
rSiCl |
AlBr |
Aluminum monobromide |
163 |
rAlBr |
ICl |
Iodine monochloride |
161 |
rClI |
FO |
Oxygen monofluoride |
161 |
rFO |
SiH3Cl |
chlorosilane |
158 |
rSiCl |
C2H6O2S |
Dimethyl sulfone |
157 |
rCS |
NS |
Mononitrogen monosulfide |
154 |
rNS |
NO- |
nitric oxide anion |
153 |
rNO |
CuH |
Copper monohydride |
153 |
rCuH |
F2SO |
Thionyl Fluoride |
150 |
rFS |
FNO2 |
Nitryl fluoride |
150 |
rNF |
HOBr |
Hypobromous acid |
149 |
rBrO |
IF |
Iodine monofluoride |
148 |
rFI |
GeF |
Germanium monofluoride |
146 |
rFGe |
AlCl |
Aluminum monochloride |
145 |
rAlCl |
AlN |
Aluminum nitride |
145 |
rNAl |
AlO |
Aluminum monoxide |
144 |
rAlO |
IBr |
Iodine monobromide |
143 |
rBrI |
AlF |
Aluminum monofluoride |
140 |
rAlF |
BrF5 |
bromine pentafluoride |
140 |
rFBr |
CaF |
Calcium monofluoride |
139 |
rFCa |
HCl |
Hydrogen chloride |
139 |
rHCl |
HO2 |
Hydroperoxy radical |
137 |
rOO |
NaK |
Sodium Potassium |
137 |
rNaK |
NaF |
sodium fluoride |
136 |
rNaF |
CH3Br |
methyl bromide |
135 |
rCBr |
SOF4 |
Sulfur tetrafluoride oxide |
133 |
rFS |
KCl |
Potassium Chloride |
129 |
rKCl |
PF5 |
Phosphorus pentafluoride |
125 |
rFP |
CaOH |
Calcium monohydroxide |
125 |
rOCa |
CuF |
Copper monofluoride |
122 |
rCuF |
CH2Cl2 |
Methylene chloride |
121 |
rCCl |
OH- |
hydroxide anion |
120 |
rOH |
GeO |
Germanium monoxide |
119 |
rOGe |
B2 |
Boron diatomic |
117 |
rBB |
NaCl |
Sodium Chloride |
116 |
rNaCl |
SiO |
Silicon monoxide |
114 |
rSiO |
SiS |
silicon monosulfide |
114 |
rSiS |
SiBr+ |
Silicon monobromide cation |
114 |
rSiBr |
CCl |
carbon monochloride |
114 |
rCCl |
CF |
Fluoromethylidyne |
114 |
rCF |
SiC |
silicon monocarbide |
111 |
rCSi |
P2 |
Phosphorus diatomic |
110 |
rPP |
GeF+ |
Germanium monofluoride cation |
110 |
rFGe |
As4 |
Arsenic tetramer |
110 |
rAsAs |
CrH |
Chromium hydride |
108 |
rHCr |
PF+ |
phosphorus monofluoride cation |
107 |
rFP |
CuO |
Copper Monoxide |
106 |
rCuO |
HClO4 |
perchloric acid |
105 |
rOCl |
CO |
Carbon monoxide |
103 |
rCO |
C5H6 |
Propellane |
103 |
rCC |
GaF |
Gallium monofluoride |
102 |
rFGa |
TiCl |
Titanium Monochloride |
102 |
rClTi |
AsF5 |
Arsenic pentafluoride |
99 |
rAsF |
BrF3 |
Bromine trifluoride |
99 |
rFBr |
CuCl |
Copper monochloride |
97 |
rCuCl |
SeCl2 |
Selenium Dichloride |
97 |
rClSe |
PN |
Phosphorus mononitride |
94 |
rPN |
CH2Br2 |
dibromomethane |
94 |
rCBr |
Cu2 |
Copper diatomic |
93 |
rCuCu |
KBr |
Potassium Bromide |
93 |
rKBr |
CH3ONO |
Methyl nitrite |
91 |
rNO |
I2 |
Iodine diatomic |
90 |
rII |
SiH |
Silylidyne |
90 |
rSiH |
P2+ |
phosphorus diatomic cation |
89 |
rPP |
ClFO3 |
Perchloryl fluoride |
88 |
rClO |
AlS |
Aluminum sulfide |
87 |
rAlS |
NO+ |
nitric oxide cation |
87 |
rNO |
OPCl |
Phosphorus oxychloride |
87 |
rPO |
NF |
nitrogen fluoride |
87 |
rNF |
HF+ |
hydrogen fluoride cation |
87 |
rHF |
GeS |
Germanium monosulfide |
86 |
rSGe |
HSSSH |
trisulfane |
85 |
rSS |
F2SO |
Thionyl Fluoride |
85 |
rOS |
AlC |
Aluminum carbide |
84 |
rCAl |
ArH+ |
Argon hydride cation |
83 |
rArH |
PO- |
phosphorus monoxide anion |
83 |
rOP |
Si2H2 |
disilyne |
83 |
rSiSi |
CHF2Cl |
difluorochloromethane |
82 |
rCCl |
AsF |
Arsenic monofluoride |
80 |
rFAs |
CH3NO3 |
Methyl nitrate |
79 |
rNO |
CH2O2 |
Dioxirane |
78 |
rOO |
LiCl- |
lithium chloride anion |
78 |
rLiCl |
HCCl |
Chloromethylene |
78 |
rCCl |
CCl2 |
dichloromethylene |
77 |
rCCl |
MgH |
magnesium monohydride |
76 |
rMgH |
NSe |
Nitrogen monoselenide |
75 |
rNSe |
PCl5 |
Phosphorus pentachloride |
74 |
rPCl |
SiF4 |
Silicon tetrafluoride |
74 |
rSiF |
CH3I |
methyl iodide |
74 |
rCI |
BF3 |
Borane, trifluoro- |
74 |
rBF |
C5H10 |
2-Pentene, (E)- |
74 |
rCC |
CHF3 |
Methane, trifluoro- |
72 |
rCF |
CBr4 |
Carbon tetrabromide |
72 |
rCBr |
LiI |
Lithium Iodide |
72 |
rLiI |
PCl5 |
Phosphorus pentachloride |
71 |
rPCl |
BeCl |
beryllium monochloride |
71 |
rBeCl |
NS+ |
nitrogen sulfide cation |
70 |
rNS |
GeH |
germylidene |
70 |
rGeH |
IO |
Iodine monoxide |
70 |
rIO |
XeF2 |
Xenon difluoride |
70 |
rFXe |
TeO |
Tellurium monoxide |
70 |
rOTe |
HF |
Hydrogen fluoride |
69 |
rHF |
PF |
phosphorus monofluoride |
68 |
rFP |
NaH |
sodium hydride |
67 |
rNaH |
CH2FCl |
fluorochloromethane |
67 |
rCCl |
CH3SCH2CH3 |
Ethane, (methylthio)- |
67 |
rCS |
C3O2 |
Carbon suboxide |
66 |
rCO |
S2+ |
sulfur diatomic cation |
66 |
rSS |
XeF4 |
Xenon tetrafluoride |
65 |
rFXe |
NaBr |
Sodium Bromide |
65 |
rNaBr |
CH3CSNH2 |
Ethanethioamide |
65 |
rCS |
KF |
Potassium Fluoride |
63 |
rKF |
H2Cl+ |
dihydrogen monochloride cation |
63 |
rHCl |
H2CS |
Thioformaldehyde |
62 |
rCS |
HS- |
mercapto anion |
62 |
rSH |
Si2H2 |
disilyne |
62 |
rSiH |
HeH+ |
Helium hydride cation |
61 |
rHHe |
CH2O2 |
Dioxirane |
61 |
rCO |
AlNC |
Aluminum isocyanide |
61 |
rAlN |
BrF3 |
Bromine trifluoride |
61 |
rFBr |
C3H6 |
Cyclopropane |
60 |
rCC |
FNO2 |
Nitryl fluoride |
60 |
rNO |
HOI |
Hypoiodous acid |
60 |
rOI |
OH |
Hydroxyl radical |
60 |
rOH |
SeS |
Selenium monosulfide |
59 |
rSSe |
CH3SCH2CH3 |
Ethane, (methylthio)- |
59 |
rCS |
CI4 |
tetraiodomethane |
59 |
rCI |
CSe |
Carbon monoselenide |
58 |
rCSe |
As2 |
Arsenic diatomic |
57 |
rAsAs |
PCl |
phosphorus chloride |
57 |
rPCl |
GeH3F |
monofluorogermane |
57 |
rGeF |
H2O |
Water |
57 |
rOH |
MgOH |
magnesium hydroxide |
56 |
rMgO |
F2O |
Difluorine monoxide |
56 |
rFO |
CH3OC2H5 |
Ethane, methoxy- |
55 |
rCO |
CH2F2 |
Methane, difluoro- |
55 |
rCF |
CH3COCl |
Acetyl Chloride |
55 |
rCCl |
MgCl |
magnesium monochloride |
55 |
rMgCl |
HCl+ |
hydrogen chloride cation |
55 |
rHCl |
SOCl2 |
thionyl chloride |
55 |
rSO |
PO2 |
Phosphorus dioxide |
54 |
rPO |
NO3 |
Nitrogen trioxide |
54 |
rNO |
BrF5 |
bromine pentafluoride |
54 |
rFBr |
C2Cl2 |
dichloroacetylene |
53 |
rCCl |
LiF |
lithium fluoride |
53 |
rLiF |
GeBr4 |
Germanium tetrabromide |
51 |
rGeBr |
SiHCl3 |
Trichlorosilane |
51 |
rSiCl |
C4H10O |
Ethoxy ethane |
51 |
rCO |
SiI4 |
silicon tetraiodide |
50 |
rSiI |
LiOH |
lithium hydroxide |
49 |
rLiO |
NH2F |
monofluoroamine |
49 |
rNF |
AsF5 |
Arsenic pentafluoride |
49 |
rAsF |
CCl2O |
Phosgene |
48 |
rCCl |
CO+ |
carbon monoxide cation |
47 |
rCO |
C5H6 |
Bicyclo[2.1.0]pent-2-ene |
46 |
rCC |
CS |
carbon monosulfide |
45 |
rCS |
N2O3 |
Dinitrogen trioxide |
45 |
rNO |
CH2ClCH2Cl |
Ethane, 1,2-dichloro- |
44 |
rCCl |
AlI |
Aluminum monoiodide |
44 |
rAlI |
CP |
Carbon monophosphide |
43 |
rCP |
BeO |
beryllium oxide |
42 |
rBeO |
CH3OCH3 |
Dimethyl ether |
41 |
rCO |
N3 |
azide radical |
41 |
rNN |
HOBr |
Hypobromous acid |
41 |
rOH |
N2O3 |
Dinitrogen trioxide |
40 |
rNO |
MgS |
magnesium sulfide |
40 |
rMgS |
AlH+ |
aluminum monohydride cation |
40 |
rAlH |
BCl |
boron monochloride |
39 |
rBCl |
ClCN |
chlorocyanogen |
39 |
rCCl |
CFCl3 |
Trichloromonofluoromethane |
39 |
rCCl |
SiH+ |
silicon monohydride cation |
39 |
rSiH |
CHClCCl2 |
Trichloroethylene |
38 |
rCCl |
CHClCCl2 |
Trichloroethylene |
38 |
rCCl |
AsF3 |
Arsenic trifluoride |
38 |
rAsF |
C4H8O2 |
Ethyl acetate |
38 |
rCO |
C4H8O2 |
1,3-Dioxane |
38 |
rCO |
KrH+ |
Protonated Krypton |
37 |
rHKr |
NH3BF3 |
Amminetrifluoroboron |
36 |
rBN |
BeF |
Beryllium monofluoride |
36 |
rBeF |
C2H2 |
Acetylene |
35 |
rCC |
C2Cl2 |
dichloroacetylene |
35 |
rCC |
CHBr3 |
bromoform |
35 |
rCBr |
PH |
phosphorus monohydride |
35 |
rPH |
ScH |
Scandium monohydride |
35 |
rScH |
MgH+ |
magnesium monohydride cation |
34 |
rMgH |
HO2 |
Hydroperoxy radical |
34 |
rOH |
C2 |
Carbon diatomic |
33 |
rCC |
AsH |
Arsenic monohydride |
32 |
rAsH |
HClO4 |
perchloric acid |
32 |
rOH |
OCSe |
Carbonyl selenide |
32 |
rCO |
SCSe |
Carbon sulfide selenide |
32 |
rCS |
AlH |
aluminum monohydride |
31 |
rAlH |
C4 |
Carbon tetramer |
31 |
rCC |
CH3ONO |
Methyl nitrite |
30 |
rNO |
CBrClF2 |
Methane, bromochlorodifluoro- |
30 |
rCBr |
HS |
Mercapto radical |
30 |
rSH |
N2O3 |
Dinitrogen trioxide |
29 |
rNO |
C5H8O |
Cyclopentanone |
29 |
rCC |
C5H8 |
Bicyclo[2.1.0]pentane |
28 |
rCC |
CH2CO |
Ketene |
28 |
rCO |
CN |
Cyano radical |
28 |
rCN |
ICN |
Cyanogen iodide |
28 |
rCI |
BS |
boron sulfide |
27 |
rBS |
CH2C(CH3)OCH3 |
1-Propene, 2-methoxy- |
26 |
rCO |
LiNH2 |
lithium amide |
26 |
rLiN |
C6H6 |
Fulvene |
25 |
rCH |
CaOH |
Calcium monohydroxide |
24 |
rOH |
NH |
Imidogen |
24 |
rNH |
SiN |
Silicon nitride |
24 |
rSiN |
MgOH |
magnesium hydroxide |
23 |
rOH |
OCSe |
Carbonyl selenide |
23 |
rCSe |
HOCl |
hypochlorous acid |
23 |
rOH |
HBr+ |
hydrogen bromide cation |
23 |
rHBr |
CH3ONO |
Methyl nitrite |
23 |
rCO |
C2HF3 |
Trifluoroethylene |
23 |
rCF |
C3H8O2 |
Methane, dimethoxy- |
22 |
rCO |
HI |
Hydrogen iodide |
22 |
rHI |
HOI |
Hypoiodous acid |
21 |
rOH |
MgO |
magnesium oxide |
21 |
rMgO |
CH3OC2H5 |
Ethane, methoxy- |
21 |
rCO |
C4H5N |
Cyclopropanecarbonitrile |
20 |
rCC |
C2H4F2 |
1,2-difluoroethane |
20 |
rCC |
GeH3F |
monofluorogermane |
20 |
rGeH |
C4H10O |
Propane, 2-methoxy- |
19 |
rCO |
CH3OCHO |
methyl formate |
19 |
rCO |
CF3COOH |
trifluoroacetic acid |
19 |
rCO |
CF3COOH |
trifluoroacetic acid |
18 |
rOH |
DF |
Hydrofluoric acid-d |
18 |
rDF |
C4H8O2 |
1,3-Dioxolane, 2-methyl- |
18 |
rCO |
Si(CH3)4 |
tetramethylsilane |
18 |
rSiC |
DCl |
Hydrochloric acid-d |
17 |
rDCl |
CH2C(CH3)OCH3 |
1-Propene, 2-methoxy- |
16 |
rCO |
BeS |
beryllium sulfide |
16 |
rBeS |
MgF |
Magnesium monofluoride |
16 |
rMgF |
NH+ |
imidogen cation |
16 |
rNH |
HNCNH |
diiminomethane |
15 |
rCN |
SbH3 |
Stibine |
15 |
rSbH |
TeH |
Telluryl radical |
15 |
rHTe |
C2H5F |
fluoroethane |
15 |
rCF |
C3H3NO |
Oxazole |
15 |
rCO |
C6H5OCH3 |
Anisole |
15 |
rCO |
CH2NN |
diazomethane |
15 |
rNN |
CH |
Methylidyne |
15 |
rCH |
CH3OCHO |
methyl formate |
15 |
rCO |
CF3COOH |
trifluoroacetic acid |
14 |
rCC |
HNCO |
Isocyanic acid |
14 |
rCO |
DS |
Mercapto-d |
14 |
rSD |
NH2CONH2 |
Urea |
14 |
rNH |
H2Te |
Hydrogen Telluride |
13 |
rHTe |
C6H8 |
Bicyclo[2.1.1]hex-2-ene |
13 |
rCC |
COBr2 |
Carbonic dibromide |
13 |
rCO |
C4H5N |
(E)-2-Butenenitrile |
13 |
rCC |
C4H5N |
Cyclopropanecarbonitrile |
13 |
rCC |
C2H |
Ethynyl radical |
13 |
rCC |
C10H8 |
Azulene |
13 |
rCC |
C3O2 |
Carbon suboxide |
12 |
rCC |
CH3CH2CHO |
Propanal |
12 |
rCC |
DO |
Hydroxyl-d |
11 |
rDO |
C4H8O2 |
Ethyl acetate |
11 |
rCC |
C4H8O2 |
Ethyl acetate |
11 |
rCO |
C2H5F |
fluoroethane |
11 |
rCC |
C2- |
carbon diatomic anion |
10 |
rCC |
C5H12O |
Butane, 1-methoxy- |
10 |
rCO |
C3H6O |
2-Propen-1-ol |
10 |
rCH |
C3H6O |
2-Propen-1-ol |
10 |
rCH |
C3H6O |
2-Propen-1-ol |
10 |
rCH |
C3H6O |
2-Propen-1-ol |
10 |
rCH |
C3H6O |
2-Propen-1-ol |
10 |
rCH |
CFCl3 |
Trichloromonofluoromethane |
10 |
rCF |
HBr |
hydrogen bromide |
10 |
rHBr |
ICN |
Cyanogen iodide |
10 |
rCN |
HS+ |
sulfur monohydride cation |
9 |
rSH |
CH2BrCl |
Methane, bromochloro- |
9 |
rHC |
CH2FCl |
fluorochloromethane |
9 |
rCF |
CHF3 |
Methane, trifluoro- |
9 |
rCH |
C2H2O2 |
Ethanedial |
9 |
rCH |
BN |
boron nitride |
8 |
rBN |
C3H4O |
Cyclopropanone |
8 |
rCC |
C4H5NO |
3-Methylisoxazole |
8 |
rCC |
C4H4N2 |
1,3-Diazine |
8 |
rCN |
CHF2Cl |
difluorochloromethane |
8 |
rCF |
CH3NH2 |
methyl amine |
8 |
rCN |
CN- |
cyanide anion |
8 |
rCN |
PH+ |
phosphorus monohydride cation |
8 |
rPH |
SiH4 |
Silane |
8 |
rSiH |
LiOH |
lithium hydroxide |
7 |
rOH |
CSe2 |
Carbon diselenide |
7 |
rCSe |
CH3NH2 |
methyl amine |
7 |
rNH |
CH3NC |
methyl isocyanide |
7 |
rCN |
CH2 |
Methylene |
7 |
rCH |
C3H3NO |
Oxazole |
7 |
rCO |
C5H6 |
Propellane |
7 |
rCC |
C3F6 |
hexafluoropropene |
7 |
rCF |
C3H2N2 |
Malononitrile |
6 |
rCC |
C3H3NO |
Oxazole |
6 |
rCH |
C3H3NO |
Oxazole |
6 |
rCH |
C3H3NO |
Oxazole |
6 |
rCH |
C5H10 |
2-Pentene, (E)- |
6 |
rCC |
C6H5OH |
phenol |
6 |
rCO |
C3H4N2 |
1H-Pyrazole |
6 |
rCH |
C3H4N2 |
1H-Pyrazole |
6 |
rCH |
C3H4N2 |
1H-Pyrazole |
6 |
rCH |
CH2NN |
diazomethane |
6 |
rCN |
CH3CH(NH2)COOH |
Alanine |
6 |
rCC |
ClCN |
chlorocyanogen |
6 |
rCN |
HSiCl |
Chlorosilylene |
6 |
rSiH |
H2CSe |
Selenoformaldehyde |
6 |
rCSe |
NH2SH |
Thiohydroxylamine |
5 |
rSH |
CH3NHCH3 |
Dimethylamine |
5 |
rCH |
CH3NC |
methyl isocyanide |
5 |
rCN |
CH2F2 |
Methane, difluoro- |
5 |
rCH |
CH3CHClCH3 |
Propane, 2-chloro- |
5 |
rCH |
C3H8O2 |
Methane, dimethoxy- |
5 |
rCO |
C4H6 |
Methylenecyclopropane |
5 |
rCC |
C4H6O |
Cyclobutanone |
5 |
rCC |
C3F6 |
hexafluoropropene |
5 |
rCC |
BeH |
beryllium monohydride |
5 |
rBeH |
AsH3 |
Arsine |
4 |
rAsH |
C2H2O2 |
Ethanedial |
4 |
rCC |
C5H10S |
2H-Thiopyran, tetrahydro- |
4 |
rCC |
C5H6 |
Bicyclo[2.1.0]pent-2-ene |
4 |
rCC |
C6H12 |
(E)-3-methylpent-2-ene |
4 |
rCC |
C5H7N |
Cyclobutanecarbonitrile |
4 |
rCC |
C4H6 |
Bicyclo[1.1.0]butane |
4 |
rCC |
CCl2O |
Phosgene |
4 |
rCO |
Fe(CO)5 |
Iron pentacarbonyl |
4 |
rCO |
CH3ONO |
Methyl nitrite |
3 |
rCH |
CH3ONO |
Methyl nitrite |
3 |
rCH |
C6H6 |
Fulvene |
3 |
rCC |
CH3COCH2CH3 |
2-Butanone |
3 |
rCC |
CH3CH2NH2 |
Ethylamine |
3 |
rCH |
CH3COCl |
Acetyl Chloride |
3 |
rCO |
CH3CH2O |
Ethoxy radical |
3 |
rCH |
CH3CH(NH2)COOH |
Alanine |
3 |
rCC |
CH2CHCH2CH3 |
1-Butene |
3 |
rCC |
C3H8O2 |
1,3-Propanediol |
3 |
rOH |
C5H8 |
Cyclopentene |
3 |
rCC |
C4H6S |
Thiophene, 2,5-dihydro- |
3 |
rCH |
BO |
boron monoxide |
3 |
rBO |
HCCl |
Chloromethylene |
3 |
rCH |
SCSe |
Carbon sulfide selenide |
3 |
rCSe |
SiH3Cl |
chlorosilane |
2 |
rSiH |
SiH2Cl2 |
dichlorosilane |
2 |
rSiH |
H2Se |
Hydrogen selenide |
2 |
rSeH |
HSe |
Selenium monohydride |
2 |
rSeH |
P2H4 |
Diphosphine |
2 |
rPH |
P2H4 |
Diphosphine |
2 |
rPH |
C10H8 |
naphthalene |
2 |
rCC |
C2H2+ |
acetylene cation |
2 |
rCC |
C2H2+ |
acetylene cation |
2 |
rCH |
B2H6 |
Diborane |
2 |
rBH |
B2H6 |
Diborane |
2 |
rBH |
BH |
Boron monohydride |
2 |
rBH |
C5H10 |
2-Pentene, (Z)- |
2 |
rCC |
C5H8 |
Cyclobutane, methylene- |
2 |
rCC |
C5H8 |
Cyclobutane, methylene- |
2 |
rCH |
C5H8 |
Bicyclo[2.1.0]pentane |
2 |
rCC |
C6H5OCH3 |
Anisole |
2 |
rCO |
C4H8O2 |
Ethyl acetate |
2 |
rCC |
C4H5NO |
Isoxazole, 5-methyl- |
2 |
rCC |
CH2ClCHCHCH3 |
2-Butene, 1-chloro- |
2 |
rCC |
CH3CH2SH |
ethanethiol |
2 |
rCH |
CH3CH2SH |
ethanethiol |
2 |
rCH |
CH3COCH2CH3 |
2-Butanone |
2 |
rCC |
CH3COCH2CH3 |
2-Butanone |
2 |
rCH |
CH3COCH2CH3 |
2-Butanone |
2 |
rCH |
CH3COCH2CH3 |
2-Butanone |
2 |
rCH |
CH3COCH2CH3 |
2-Butanone |
2 |
rCH |
CH3COCH2CH3 |
2-Butanone |
2 |
rCH |
C6H6 |
Fulvene |
2 |
rCC |
C6H10 |
1-Butyne, 3,3-dimethyl- |
2 |
rCC |
CH2CCHCH3 |
1,2-Butadiene |
2 |
rCC |
CH2CHCH2CH3 |
1-Butene |
1 |
rCC |
CH2C(CH3)OCH3 |
1-Propene, 2-methoxy- |
1 |
rCH |
C8H8 |
cyclooctatetraene |
1 |
rCC |
C6H6 |
Fulvene |
1 |
rCC |
C6H6 |
Fulvene |
1 |
rCH |
C6H8 |
(Z)-hexa-1,3,5-triene |
1 |
rCC |
CH3COCl |
Acetyl Chloride |
1 |
rCC |
CH3CH2O |
Ethoxy radical |
1 |
rCH |
CH3CH2O |
Ethoxy radical |
1 |
rCH |
CH2ClCHCHCH3 |
2-Butene, 1-chloro- |
1 |
rCH |
CH2CHOCHCH2 |
Vinyl ether |
1 |
rCH |
CH2CHOCHCH2 |
Vinyl ether |
1 |
rCO |
CH3SiFH2 |
fluoromethylsilane |
1 |
rSiF |
CHF2Cl |
difluorochloromethane |
1 |
rCH |
CH3OC2H5 |
Ethane, methoxy- |
1 |
rCH |
CH3OC2H5 |
Ethane, methoxy- |
1 |
rCH |
CH3OC2H5 |
Ethane, methoxy- |
1 |
rCH |
CH3OC2H5 |
Ethane, methoxy- |
1 |
rCH |
CH3OC2H5 |
Ethane, methoxy- |
1 |
rCH |
CH3OCHO |
methyl formate |
1 |
rCH |
CH3OCHO |
methyl formate |
1 |
rCH |
D2 |
Deuterium diatomic |
1 |
rDD |
C4H4N2 |
1,3-Diazine |
1 |
rCN |
C4H10O |
Propane, 2-methoxy- |
1 |
rCH |
C4H8O2 |
Ethyl acetate |
1 |
rCH |
C4H6 |
Cyclobutene |
1 |
rCC |
C3H5ClO |
Oxirane, (chloromethyl)- |
1 |
rCC |
C4H10O |
Ethoxy ethane |
1 |
rCC |
C6H6 |
Fulvene |
1 |
rCC |
C6H12 |
Cyclohexane |
1 |
rCH |
C6H5NH2 |
aniline |
1 |
rCC |
C5H9N |
Pentanenitrile |
1 |
rCC |
C5H8 |
Bicyclo[2.1.0]pentane |
1 |
rCC |
C5H8 |
Ethenylcyclopropane |
1 |
rCC |
C5H8O |
2H-Pyran, 3,4-dihydro- |
1 |
rCC |
C5H10 |
2-Pentene, (Z)- |
1 |
rCH |
C5H10O |
2-Butanone, 3-methyl- |
1 |
rCC |
C5H10O |
2-Butanone, 3-methyl- |
1 |
rCH |
C5H5N |
Pyridine |
1 |
rCC |
BH+ |
boron monohydride cation |
1 |
rBH |
C2H5N |
Aziridine |
1 |
rCH |
C2H5N |
Aziridine |
1 |
rCH |
C10H8 |
Azulene |
1 |
rCC |
HD |
Deuterium hydride |
1 |
rDH |
H2 |
Hydrogen diatomic |
1 |
rHH |
SiH3F |
monofluorosilane |
1 |
rSiH |