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 |
| KH |
Potassium hydride |
325 |
rKH |
| SF4 |
Sulfur tetrafluoride |
325 |
rSF |
| BrO |
Bromine monoxide |
313 |
rOBr |
| CaBr |
Calcium monobromide |
310 |
rCaBr |
| NCl |
nitrogen monochloride |
307 |
rNCl |
| ClOF3 |
Chlorine trifluoride oxide |
304 |
rFCl |
| CaC |
Calcium monocarbide |
281 |
rCCa |
| Cl2+ |
chlorine diatomic cation |
281 |
rClCl |
| 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 |
| BF |
Boron monofluoride |
237 |
rBF |
| SF |
Monosulfur monofluoride |
237 |
rSF |
| SiCl |
Clorosilylidyne |
235 |
rSiCl |
| SO |
Sulfur monoxide |
228 |
rOS |
| SiF2 |
Silicon difluoride |
228 |
rFSi |
| PS |
phosphorus sulfide |
227 |
rPS |
| ClO |
Monochlorine monoxide |
225 |
rClO |
| F2 |
Fluorine diatomic |
224 |
rFF |
| C2H6O2S |
Dimethyl sulfone |
224 |
rSO |
| ClF |
Chlorine monofluoride |
224 |
rFCl |
| SSO |
Disulfur monoxide |
223 |
rSS |
| GeCl |
Germanium monochloride |
223 |
rClGe |
| Br2 |
Bromine diatomic |
222 |
rBrBr |
| SOF4 |
Sulfur tetrafluoride oxide |
222 |
rFS |
| 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 |
| Se2 |
Selenium diatomic |
201 |
rSeSe |
| PF5 |
Phosphorus pentafluoride |
201 |
rPF |
| 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 |
| SiF |
silicon monofluoride |
185 |
rSiF |
| HOCl |
hypochlorous acid |
185 |
rClO |
| HClO4 |
perchloric acid |
185 |
rOCl |
| 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 |
| CuH |
Copper monohydride |
153 |
rCuH |
| NO- |
nitric oxide anion |
153 |
rNO |
| 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 |
| BrF5 |
bromine pentafluoride |
140 |
rFBr |
| AlF |
Aluminum monofluoride |
140 |
rAlF |
| CaF |
Calcium monofluoride |
139 |
rFCa |
| HCl |
Hydrogen chloride |
139 |
rHCl |
| NaK |
Sodium Potassium |
137 |
rNaK |
| HO2 |
Hydroperoxy radical |
137 |
rOO |
| NaF |
sodium fluoride |
136 |
rNaF |
| CH3Br |
methyl bromide |
135 |
rCBr |
| SOF4 |
Sulfur tetrafluoride oxide |
133 |
rFS |
| KCl |
Potassium Chloride |
129 |
rKCl |
| CaOH |
Calcium monohydroxide |
125 |
rOCa |
| PF5 |
Phosphorus pentafluoride |
125 |
rFP |
| 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 |
| CCl |
carbon monochloride |
114 |
rCCl |
| CF |
Fluoromethylidyne |
114 |
rCF |
| SiS |
silicon monosulfide |
114 |
rSiS |
| SiO |
Silicon monoxide |
114 |
rSiO |
| SiBr+ |
Silicon monobromide cation |
114 |
rSiBr |
| SiC |
silicon monocarbide |
111 |
rCSi |
| As4 |
Arsenic tetramer |
110 |
rAsAs |
| GeF+ |
Germanium monofluoride cation |
110 |
rFGe |
| P2 |
Phosphorus diatomic |
110 |
rPP |
| CrH |
Chromium hydride |
108 |
rHCr |
| PF+ |
phosphorus monofluoride cation |
107 |
rFP |
| CuO |
Copper Monoxide |
106 |
rCuO |
| HClO4 |
perchloric acid |
105 |
rOCl |
| C5H6 |
Propellane |
103 |
rCC |
| CO |
Carbon monoxide |
103 |
rCO |
| GaF |
Gallium monofluoride |
102 |
rFGa |
| TiCl |
Titanium Monochloride |
102 |
rClTi |
| AsF5 |
Arsenic pentafluoride |
99 |
rAsF |
| BrF3 |
Bromine trifluoride |
99 |
rFBr |
| SeCl2 |
Selenium Dichloride |
97 |
rClSe |
| CuCl |
Copper monochloride |
97 |
rCuCl |
| PN |
Phosphorus mononitride |
94 |
rPN |
| CH2Br2 |
dibromomethane |
94 |
rCBr |
| KBr |
Potassium Bromide |
93 |
rKBr |
| Cu2 |
Copper diatomic |
93 |
rCuCu |
| 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 |
| NF |
nitrogen fluoride |
87 |
rNF |
| AlS |
Aluminum sulfide |
87 |
rAlS |
| NO+ |
nitric oxide cation |
87 |
rNO |
| OPCl |
Phosphorus oxychloride |
87 |
rPO |
| HF+ |
hydrogen fluoride cation |
87 |
rHF |
| GeS |
Germanium monosulfide |
86 |
rSGe |
| F2SO |
Thionyl Fluoride |
85 |
rOS |
| HSSSH |
trisulfane |
85 |
rSS |
| AlC |
Aluminum carbide |
84 |
rCAl |
| Si2H2 |
disilyne |
83 |
rSiSi |
| PO- |
phosphorus monoxide anion |
83 |
rOP |
| ArH+ |
Argon hydride cation |
83 |
rArH |
| CHF2Cl |
difluorochloromethane |
82 |
rCCl |
| AsF |
Arsenic monofluoride |
80 |
rFAs |
| CH3NO3 |
Methyl nitrate |
79 |
rNO |
| HCCl |
Chloromethylene |
78 |
rCCl |
| LiCl- |
lithium chloride anion |
78 |
rLiCl |
| CH2O2 |
Dioxirane |
78 |
rOO |
| CCl2 |
dichloromethylene |
77 |
rCCl |
| MgH |
magnesium monohydride |
76 |
rMgH |
| NSe |
Nitrogen monoselenide |
75 |
rNSe |
| BF3 |
Borane, trifluoro- |
74 |
rBF |
| C5H10 |
2-Pentene, (E)- |
74 |
rCC |
| PCl5 |
Phosphorus pentachloride |
74 |
rPCl |
| SiF4 |
Silicon tetrafluoride |
74 |
rSiF |
| CH3I |
methyl iodide |
74 |
rCI |
| CHF3 |
Methane, trifluoro- |
72 |
rCF |
| CBr4 |
Carbon tetrabromide |
72 |
rCBr |
| LiI |
Lithium Iodide |
72 |
rLiI |
| BeCl |
beryllium monochloride |
71 |
rBeCl |
| PCl5 |
Phosphorus pentachloride |
71 |
rPCl |
| TeO |
Tellurium monoxide |
70 |
rOTe |
| NS+ |
nitrogen sulfide cation |
70 |
rNS |
| GeH |
germylidene |
70 |
rGeH |
| XeF2 |
Xenon difluoride |
70 |
rFXe |
| IO |
Iodine monoxide |
70 |
rIO |
| HF |
Hydrogen fluoride |
69 |
rHF |
| PF |
phosphorus monofluoride |
68 |
rFP |
| NaH |
sodium hydride |
67 |
rNaH |
| CH2FCl |
fluorochloromethane |
67 |
rCCl |
| CH3SCH2CH3 |
Ethane, (methylthio)- |
67 |
rCS |
| S2+ |
sulfur diatomic cation |
66 |
rSS |
| C3O2 |
Carbon suboxide |
66 |
rCO |
| NaBr |
Sodium Bromide |
65 |
rNaBr |
| XeF4 |
Xenon tetrafluoride |
65 |
rFXe |
| CH3CSNH2 |
Ethanethioamide |
65 |
rCS |
| H2Cl+ |
dihydrogen monochloride cation |
63 |
rHCl |
| KF |
Potassium Fluoride |
63 |
rKF |
| Si2H2 |
disilyne |
62 |
rSiH |
| H2CS |
Thioformaldehyde |
62 |
rCS |
| HS- |
mercapto anion |
62 |
rSH |
| AlNC |
Aluminum isocyanide |
61 |
rAlN |
| HeH+ |
Helium hydride cation |
61 |
rHHe |
| BrF3 |
Bromine trifluoride |
61 |
rFBr |
| CH2O2 |
Dioxirane |
61 |
rCO |
| FNO2 |
Nitryl fluoride |
60 |
rNO |
| OH |
Hydroxyl radical |
60 |
rOH |
| C3H6 |
Cyclopropane |
60 |
rCC |
| HOI |
Hypoiodous acid |
60 |
rOI |
| SeS |
Selenium monosulfide |
59 |
rSSe |
| CI4 |
tetraiodomethane |
59 |
rCI |
| CH3SCH2CH3 |
Ethane, (methylthio)- |
59 |
rCS |
| CSe |
Carbon monoselenide |
58 |
rCSe |
| GeH3F |
monofluorogermane |
57 |
rGeF |
| PCl |
phosphorus chloride |
57 |
rPCl |
| H2O |
Water |
57 |
rOH |
| As2 |
Arsenic diatomic |
57 |
rAsAs |
| F2O |
Difluorine monoxide |
56 |
rFO |
| MgOH |
magnesium hydroxide |
56 |
rMgO |
| CH2F2 |
Methane, difluoro- |
55 |
rCF |
| SOCl2 |
thionyl chloride |
55 |
rSO |
| CH3COCl |
Acetyl Chloride |
55 |
rCCl |
| MgCl |
magnesium monochloride |
55 |
rMgCl |
| HCl+ |
hydrogen chloride cation |
55 |
rHCl |
| CH3OC2H5 |
Ethane, methoxy- |
55 |
rCO |
| PO2 |
Phosphorus dioxide |
54 |
rPO |
| BrF5 |
bromine pentafluoride |
54 |
rFBr |
| NO3 |
Nitrogen trioxide |
54 |
rNO |
| C2Cl2 |
dichloroacetylene |
53 |
rCCl |
| LiF |
lithium fluoride |
53 |
rLiF |
| GeBr4 |
Germanium tetrabromide |
51 |
rGeBr |
| C4H10O |
Ethoxy ethane |
51 |
rCO |
| SiHCl3 |
Trichlorosilane |
51 |
rSiCl |
| 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 |
| N2O3 |
Dinitrogen trioxide |
45 |
rNO |
| CS |
carbon monosulfide |
45 |
rCS |
| AlI |
Aluminum monoiodide |
44 |
rAlI |
| CH2ClCH2Cl |
Ethane, 1,2-dichloro- |
44 |
rCCl |
| CP |
Carbon monophosphide |
43 |
rCP |
| BeO |
beryllium oxide |
42 |
rBeO |
| N3 |
azide radical |
41 |
rNN |
| CH3OCH3 |
Dimethyl ether |
41 |
rCO |
| HOBr |
Hypobromous acid |
41 |
rOH |
| N2O3 |
Dinitrogen trioxide |
40 |
rNO |
| MgS |
magnesium sulfide |
40 |
rMgS |
| AlH+ |
aluminum monohydride cation |
40 |
rAlH |
| SiH+ |
silicon monohydride cation |
39 |
rSiH |
| BCl |
boron monochloride |
39 |
rBCl |
| ClCN |
chlorocyanogen |
39 |
rCCl |
| CFCl3 |
Trichloromonofluoromethane |
39 |
rCCl |
| C4H8O2 |
Ethyl acetate |
38 |
rCO |
| CHClCCl2 |
Trichloroethylene |
38 |
rCCl |
| CHClCCl2 |
Trichloroethylene |
38 |
rCCl |
| C4H8O2 |
1,3-Dioxane |
38 |
rCO |
| AsF3 |
Arsenic trifluoride |
38 |
rAsF |
| KrH+ |
Protonated Krypton |
37 |
rHKr |
| NH3BF3 |
Amminetrifluoroboron |
36 |
rBN |
| BeF |
Beryllium monofluoride |
36 |
rBeF |
| C2H2 |
Acetylene |
35 |
rCC |
| ScH |
Scandium monohydride |
35 |
rScH |
| C2Cl2 |
dichloroacetylene |
35 |
rCC |
| CHBr3 |
bromoform |
35 |
rCBr |
| PH |
phosphorus monohydride |
35 |
rPH |
| HO2 |
Hydroperoxy radical |
34 |
rOH |
| MgH+ |
magnesium monohydride cation |
34 |
rMgH |
| C2 |
Carbon diatomic |
33 |
rCC |
| HClO4 |
perchloric acid |
32 |
rOH |
| OCSe |
Carbonyl selenide |
32 |
rCO |
| SCSe |
Carbon sulfide selenide |
32 |
rCS |
| AsH |
Arsenic monohydride |
32 |
rAsH |
| C4 |
Carbon tetramer |
31 |
rCC |
| AlH |
aluminum monohydride |
31 |
rAlH |
| CH3ONO |
Methyl nitrite |
30 |
rNO |
| HS |
Mercapto radical |
30 |
rSH |
| CBrClF2 |
Methane, bromochlorodifluoro- |
30 |
rCBr |
| N2O3 |
Dinitrogen trioxide |
29 |
rNO |
| C5H8O |
Cyclopentanone |
29 |
rCC |
| CH2CO |
Ketene |
28 |
rCO |
| CN |
Cyano radical |
28 |
rCN |
| C5H8 |
Bicyclo[2.1.0]pentane |
28 |
rCC |
| ICN |
Cyanogen iodide |
28 |
rCI |
| BS |
boron sulfide |
27 |
rBS |
| LiNH2 |
lithium amide |
26 |
rLiN |
| CH2C(CH3)OCH3 |
1-Propene, 2-methoxy- |
26 |
rCO |
| C6H6 |
Fulvene |
25 |
rCH |
| SiN |
Silicon nitride |
24 |
rSiN |
| NH |
Imidogen |
24 |
rNH |
| CaOH |
Calcium monohydroxide |
24 |
rOH |
| HBr+ |
hydrogen bromide cation |
23 |
rHBr |
| C2HF3 |
Trifluoroethylene |
23 |
rCF |
| HOCl |
hypochlorous acid |
23 |
rOH |
| OCSe |
Carbonyl selenide |
23 |
rCSe |
| MgOH |
magnesium hydroxide |
23 |
rOH |
| CH3ONO |
Methyl nitrite |
23 |
rCO |
| HI |
Hydrogen iodide |
22 |
rHI |
| C3H8O2 |
Methane, dimethoxy- |
22 |
rCO |
| 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 |
| CF3COOH |
trifluoroacetic acid |
19 |
rCO |
| CH3OCHO |
methyl formate |
19 |
rCO |
| C4H10O |
Propane, 2-methoxy- |
19 |
rCO |
| DF |
Hydrofluoric acid-d |
18 |
rDF |
| CF3COOH |
trifluoroacetic acid |
18 |
rOH |
| Si(CH3)4 |
tetramethylsilane |
18 |
rSiC |
| C4H8O2 |
1,3-Dioxolane, 2-methyl- |
18 |
rCO |
| DCl |
Hydrochloric acid-d |
17 |
rDCl |
| BeS |
beryllium sulfide |
16 |
rBeS |
| CH2C(CH3)OCH3 |
1-Propene, 2-methoxy- |
16 |
rCO |
| MgF |
Magnesium monofluoride |
16 |
rMgF |
| NH+ |
imidogen cation |
16 |
rNH |
| CH |
Methylidyne |
15 |
rCH |
| HNCNH |
diiminomethane |
15 |
rCN |
| C2H5F |
fluoroethane |
15 |
rCF |
| CH3OCHO |
methyl formate |
15 |
rCO |
| SbH3 |
Stibine |
15 |
rSbH |
| TeH |
Telluryl radical |
15 |
rHTe |
| C3H3NO |
Oxazole |
15 |
rCO |
| C6H5OCH3 |
Anisole |
15 |
rCO |
| CH2NN |
diazomethane |
15 |
rNN |
| HNCO |
Isocyanic acid |
14 |
rCO |
| NH2CONH2 |
Urea |
14 |
rNH |
| CF3COOH |
trifluoroacetic acid |
14 |
rCC |
| DS |
Mercapto-d |
14 |
rSD |
| C10H8 |
Azulene |
13 |
rCC |
| H2Te |
Hydrogen Telluride |
13 |
rHTe |
| C2H |
Ethynyl radical |
13 |
rCC |
| COBr2 |
Carbonic dibromide |
13 |
rCO |
| C6H8 |
Bicyclo[2.1.1]hex-2-ene |
13 |
rCC |
| C4H5N |
Cyclopropanecarbonitrile |
13 |
rCC |
| C4H5N |
(E)-2-Butenenitrile |
13 |
rCC |
| CH3CH2CHO |
Propanal |
12 |
rCC |
| C3O2 |
Carbon suboxide |
12 |
rCC |
| C4H8O2 |
Ethyl acetate |
11 |
rCC |
| C4H8O2 |
Ethyl acetate |
11 |
rCO |
| C2H5F |
fluoroethane |
11 |
rCC |
| DO |
Hydroxyl-d |
11 |
rDO |
| C3H6O |
2-Propen-1-ol |
10 |
rCH |
| ICN |
Cyanogen iodide |
10 |
rCN |
| 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 |
| C2- |
carbon diatomic anion |
10 |
rCC |
| HBr |
hydrogen bromide |
10 |
rHBr |
| CFCl3 |
Trichloromonofluoromethane |
10 |
rCF |
| HS+ |
sulfur monohydride cation |
9 |
rSH |
| CHF3 |
Methane, trifluoro- |
9 |
rCH |
| CH2FCl |
fluorochloromethane |
9 |
rCF |
| C2H2O2 |
Ethanedial |
9 |
rCH |
| CH2BrCl |
Methane, bromochloro- |
9 |
rHC |
| C4H4N2 |
1,3-Diazine |
8 |
rCN |
| C4H5NO |
3-Methylisoxazole |
8 |
rCC |
| CH3NH2 |
methyl amine |
8 |
rCN |
| SiH4 |
Silane |
8 |
rSiH |
| C3H4O |
Cyclopropanone |
8 |
rCC |
| BN |
boron nitride |
8 |
rBN |
| CHF2Cl |
difluorochloromethane |
8 |
rCF |
| CN- |
cyanide anion |
8 |
rCN |
| PH+ |
phosphorus monohydride cation |
8 |
rPH |
| CH3NC |
methyl isocyanide |
7 |
rCN |
| C5H6 |
Propellane |
7 |
rCC |
| CH3NH2 |
methyl amine |
7 |
rNH |
| C3H3NO |
Oxazole |
7 |
rCO |
| CSe2 |
Carbon diselenide |
7 |
rCSe |
| CH2 |
Methylene |
7 |
rCH |
| LiOH |
lithium hydroxide |
7 |
rOH |
| C3F6 |
hexafluoropropene |
7 |
rCF |
| CH3CH(NH2)COOH |
Alanine |
6 |
rCC |
| CH2NN |
diazomethane |
6 |
rCN |
| ClCN |
chlorocyanogen |
6 |
rCN |
| C6H5OH |
phenol |
6 |
rCO |
| H2CSe |
Selenoformaldehyde |
6 |
rCSe |
| C3H2N2 |
Malononitrile |
6 |
rCC |
| C3H3NO |
Oxazole |
6 |
rCH |
| C3H3NO |
Oxazole |
6 |
rCH |
| C3H3NO |
Oxazole |
6 |
rCH |
| C3H4N2 |
1H-Pyrazole |
6 |
rCH |
| C3H4N2 |
1H-Pyrazole |
6 |
rCH |
| C5H10 |
2-Pentene, (E)- |
6 |
rCC |
| C3H4N2 |
1H-Pyrazole |
6 |
rCH |
| HSiCl |
Chlorosilylene |
6 |
rSiH |
| C4H6O |
Cyclobutanone |
5 |
rCC |
| C3F6 |
hexafluoropropene |
5 |
rCC |
| C4H6 |
Methylenecyclopropane |
5 |
rCC |
| C3H8O2 |
Methane, dimethoxy- |
5 |
rCO |
| CH2F2 |
Methane, difluoro- |
5 |
rCH |
| CH3NHCH3 |
Dimethylamine |
5 |
rCH |
| CH3NC |
methyl isocyanide |
5 |
rCN |
| BeH |
beryllium monohydride |
5 |
rBeH |
| CH3CHClCH3 |
Propane, 2-chloro- |
5 |
rCH |
| NH2SH |
Thiohydroxylamine |
5 |
rSH |
| C6H12 |
(E)-3-methylpent-2-ene |
4 |
rCC |
| CCl2O |
Phosgene |
4 |
rCO |
| Fe(CO)5 |
Iron pentacarbonyl |
4 |
rCO |
| C2H2O2 |
Ethanedial |
4 |
rCC |
| C4H6 |
Bicyclo[1.1.0]butane |
4 |
rCC |
| C5H7N |
Cyclobutanecarbonitrile |
4 |
rCC |
| C5H10S |
2H-Thiopyran, tetrahydro- |
4 |
rCC |
| C5H6 |
Bicyclo[2.1.0]pent-2-ene |
4 |
rCC |
| AsH3 |
Arsine |
4 |
rAsH |
| SCSe |
Carbon sulfide selenide |
3 |
rCSe |
| C3H8O2 |
1,3-Propanediol |
3 |
rOH |
| BO |
boron monoxide |
3 |
rBO |
| CH3CH2O |
Ethoxy radical |
3 |
rCH |
| CH3COCH2CH3 |
2-Butanone |
3 |
rCC |
| C4H6S |
Thiophene, 2,5-dihydro- |
3 |
rCH |
| CH3COCl |
Acetyl Chloride |
3 |
rCO |
| CH3CH2NH2 |
Ethylamine |
3 |
rCH |
| CH3ONO |
Methyl nitrite |
3 |
rCH |
| CH3ONO |
Methyl nitrite |
3 |
rCH |
| CH3CH(NH2)COOH |
Alanine |
3 |
rCC |
| C5H8 |
Cyclopentene |
3 |
rCC |
| CH2CHCH2CH3 |
1-Butene |
3 |
rCC |
| HCCl |
Chloromethylene |
3 |
rCH |
| C6H6 |
Fulvene |
3 |
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 |
| B2H6 |
Diborane |
2 |
rBH |
| B2H6 |
Diborane |
2 |
rBH |
| SiH3Cl |
chlorosilane |
2 |
rSiH |
| BH |
Boron monohydride |
2 |
rBH |
| SiH2Cl2 |
dichlorosilane |
2 |
rSiH |
| C10H8 |
naphthalene |
2 |
rCC |
| CH2ClCHCHCH3 |
2-Butene, 1-chloro- |
2 |
rCC |
| C2H2+ |
acetylene cation |
2 |
rCC |
| C2H2+ |
acetylene cation |
2 |
rCH |
| CH2CCHCH3 |
1,2-Butadiene |
2 |
rCC |
| C6H6 |
Fulvene |
2 |
rCC |
| C6H5OCH3 |
Anisole |
2 |
rCO |
| H2Se |
Hydrogen selenide |
2 |
rSeH |
| C4H5NO |
Isoxazole, 5-methyl- |
2 |
rCC |
| C4H8O2 |
Ethyl acetate |
2 |
rCC |
| C5H10 |
2-Pentene, (Z)- |
2 |
rCC |
| C6H10 |
1-Butyne, 3,3-dimethyl- |
2 |
rCC |
| HSe |
Selenium monohydride |
2 |
rSeH |
| C5H8 |
Bicyclo[2.1.0]pentane |
2 |
rCC |
| C5H8 |
Cyclobutane, methylene- |
2 |
rCH |
| P2H4 |
Diphosphine |
2 |
rPH |
| P2H4 |
Diphosphine |
2 |
rPH |
| C5H8 |
Cyclobutane, methylene- |
2 |
rCC |
| C4H10O |
Propane, 2-methoxy- |
1 |
rCH |
| C4H4N2 |
1,3-Diazine |
1 |
rCN |
| C4H10O |
Ethoxy ethane |
1 |
rCC |
| C4H6 |
Cyclobutene |
1 |
rCC |
| C4H8O2 |
Ethyl acetate |
1 |
rCH |
| C5H10 |
2-Pentene, (Z)- |
1 |
rCH |
| C5H10O |
2-Butanone, 3-methyl- |
1 |
rCC |
| C5H10O |
2-Butanone, 3-methyl- |
1 |
rCH |
| C5H5N |
Pyridine |
1 |
rCC |
| CH3COCl |
Acetyl Chloride |
1 |
rCC |
| CH3CH2O |
Ethoxy radical |
1 |
rCH |
| CH3CH2O |
Ethoxy radical |
1 |
rCH |
| CH3OC2H5 |
Ethane, methoxy- |
1 |
rCH |
| CH3OC2H5 |
Ethane, methoxy- |
1 |
rCH |
| CH3OC2H5 |
Ethane, methoxy- |
1 |
rCH |
| SiH3F |
monofluorosilane |
1 |
rSiH |
| CH3OC2H5 |
Ethane, methoxy- |
1 |
rCH |
| C5H8 |
Bicyclo[2.1.0]pentane |
1 |
rCC |
| C3H5ClO |
Oxirane, (chloromethyl)- |
1 |
rCC |
| BH+ |
boron monohydride cation |
1 |
rBH |
| CH3OC2H5 |
Ethane, methoxy- |
1 |
rCH |
| CH3OCHO |
methyl formate |
1 |
rCH |
| CH3OCHO |
methyl formate |
1 |
rCH |
| C10H8 |
Azulene |
1 |
rCC |
| C5H8 |
Ethenylcyclopropane |
1 |
rCC |
| CH3SiFH2 |
fluoromethylsilane |
1 |
rSiF |
| CHF2Cl |
difluorochloromethane |
1 |
rCH |
| CH2ClCHCHCH3 |
2-Butene, 1-chloro- |
1 |
rCH |
| C5H8O |
2H-Pyran, 3,4-dihydro- |
1 |
rCC |
| CH2CHOCHCH2 |
Vinyl ether |
1 |
rCO |
| CH2CHOCHCH2 |
Vinyl ether |
1 |
rCH |
| C5H9N |
Pentanenitrile |
1 |
rCC |
| HD |
Deuterium hydride |
1 |
rDH |
| CH2CHCH2CH3 |
1-Butene |
1 |
rCC |
| C6H12 |
Cyclohexane |
1 |
rCH |
| CH2C(CH3)OCH3 |
1-Propene, 2-methoxy- |
1 |
rCH |
| D2 |
Deuterium diatomic |
1 |
rDD |
| C8H8 |
cyclooctatetraene |
1 |
rCC |
| C6H8 |
(Z)-hexa-1,3,5-triene |
1 |
rCC |
| C6H6 |
Fulvene |
1 |
rCH |
| C6H6 |
Fulvene |
1 |
rCC |
| C6H5NH2 |
aniline |
1 |
rCC |
| C2H5N |
Aziridine |
1 |
rCH |
| C2H5N |
Aziridine |
1 |
rCH |
| H2 |
Hydrogen diatomic |
1 |
rHH |
| C6H6 |
Fulvene |
1 |
rCC |
