| molecule |
name |
poor calculations |
bond description |
| NaK |
Sodium Potassium |
135 |
rNaK |
| ClFO3 |
Perchloryl fluoride |
124 |
rFCl |
| BrO |
Bromine monoxide |
119 |
rOBr |
| PCl5 |
Phosphorus pentachloride |
118 |
rPCl |
| BrF5 |
bromine pentafluoride |
116 |
rFBr |
| CaF |
Calcuium monofluoride |
106 |
rFCa |
| KCl |
Potassium Chloride |
106 |
rKCl |
| CaOH |
Calcium monohydroxide |
104 |
rOCa |
| CuF |
Copper monofluoride |
102 |
rCuF |
| ClF3 |
Chlorine trifluoride |
97 |
rFCl |
| SF4 |
Sulfur tetrafluoride |
95 |
rSF |
| CuO |
Copper Monoxide |
89 |
rCuO |
| KH |
Potassium hydride |
88 |
rHK |
| CuCl |
Copper monochloride |
87 |
rCuCl |
| BrF3 |
Bromine trifluoride |
85 |
rFBr |
| SiF2 |
Silicon difluoride |
82 |
rFSi |
| LiO |
lithium oxide |
81 |
rLiO |
| AlN |
Aluminum nitride |
80 |
rNAl |
| CHF2Cl |
difluorochloromethane |
77 |
rCCl |
| ClFO3 |
Perchloryl fluoride |
76 |
rClO |
| Cu2 |
Copper dimer |
75 |
rCuCu |
| SF4 |
Sulfur tetrafluoride |
75 |
rSF |
| H2+ |
Hydrogen cation |
73 |
rHH |
| CH3ONO |
Methyl nitrite |
73 |
rNO |
| CCl2 |
dichloromethylene |
73 |
rCCl |
| ClF3 |
Chlorine trifluoride |
72 |
rFCl |
| BrCl |
Bromine monochloride |
70 |
rClBr |
| CH3NO3 |
Methyl nitrate |
68 |
rNO |
| SCl |
sulfur monochloride |
67 |
rSCl |
| Se2 |
Selenium diatomic |
66 |
rSeSe |
| PCl5 |
Phosphorus pentachloride |
66 |
rPCl |
| SSO |
Disulfur monoxide |
66 |
rSS |
| NS |
Mononitrogen monosulfide |
66 |
rNS |
| CH2FCl |
fluorochloromethane |
65 |
rCCl |
| HOCl |
hypochlorous acid |
64 |
rClO |
| ClF |
Chlorine monofluoride |
64 |
rFCl |
| SeO |
Selenium monoxide |
62 |
rSeO |
| CH2O2 |
Dioxirane |
62 |
rOO |
| Br2 |
Bromine diatomic |
61 |
rBrBr |
| C2H6O2S |
Dimethyl sulfone |
60 |
rSO |
| SSO |
Disulfur monoxide |
60 |
rSO |
| HOBr |
Hypobromous acid |
60 |
rBrO |
| PF5 |
Phosphorus pentafluoride |
59 |
rPF |
| BrF |
Bromine monofluoride |
59 |
rFBr |
| HNO3 |
Nitric acid |
58 |
rNO |
| CH2O2 |
Dioxirane |
58 |
rCO |
| BrF3 |
Bromine trifluoride |
57 |
rFBr |
| C5H10 |
2-Pentene, (E)- |
56 |
rCC |
| SeO2 |
Selenium dioxide |
56 |
rSeO |
| SeS |
Selenium monosulfide |
56 |
rSSe |
| HO2 |
Hydroperoxy radical |
55 |
rOO |
| PCl |
phosphorus chloride |
55 |
rPCl |
| LiCl |
lithium chloride |
54 |
rLiCl |
| SiH2Cl2 |
dichlorosilane |
54 |
rSiCl |
| SOCl2 |
thionyl chloride |
54 |
rSO |
| SiH3F |
monofluorosilane |
53 |
rSiF |
| PO2 |
Phosphorus dioxide |
53 |
rPO |
| CH3COCl |
Acetyl Chloride |
52 |
rCCl |
| C2Cl2 |
dichloroacetylene |
52 |
rCCl |
| BrF5 |
bromine pentafluoride |
51 |
rFBr |
| SiHCl3 |
Trichlorosilane |
50 |
rSiCl |
| CH3Br |
methyl bromide |
49 |
rCBr |
| C2H6O2S |
Dimethyl sulfone |
48 |
rCS |
| CCl2O |
Phosgene |
46 |
rCCl |
| N2O3 |
Dinitrogen trioxide |
44 |
rNO |
| FO |
Oxygen monofluoride |
44 |
rFO |
| SiF4 |
Silicon tetrafluoride |
43 |
rSiF |
| CH2ClCH2Cl |
Ethane, 1,2-dichloro- |
43 |
rCCl |
| SiH3Cl |
chlorosilane |
42 |
rSiCl |
| I2 |
Iodine diatomic |
42 |
rII |
| OH- |
hydroxide anion |
40 |
rOH |
| N2O3 |
Dinitrogen trioxide |
39 |
rNO |
| CH3SCH2CH3 |
Ethane, (methylthio)- |
39 |
rCS |
| ClCN |
chlorocyanogen |
38 |
rCCl |
| PF5 |
Phosphorus pentafluoride |
38 |
rPF |
| CFCl3 |
Trichloromonofluoromethane |
38 |
rCCl |
| C5H6 |
Bicyclo[2.1.0]pent-2-ene |
37 |
rCC |
| CHClCCl2 |
Trichloroethylene |
37 |
rCCl |
| CHClCCl2 |
Trichloroethylene |
37 |
rCCl |
| CH2Br2 |
dibromomethane |
36 |
rCBr |
| C4H8O2 |
Ethyl acetate |
35 |
rCO |
| CH3I |
methyl iodide |
35 |
rCI |
| CHBr3 |
bromoform |
33 |
rCBr |
| BF |
Boron monofluoride |
32 |
rBF |
| CH3SCH2CH3 |
Ethane, (methylthio)- |
31 |
rCS |
| CH3ONO |
Methyl nitrite |
29 |
rNO |
| N2O3 |
Dinitrogen trioxide |
28 |
rNO |
| C2Cl2 |
dichloroacetylene |
28 |
rCC |
| C5H8 |
Bicyclo[2.1.0]pentane |
28 |
rCC |
| CBr4 |
Carbon tetrabromide |
28 |
rCBr |
| HF+ |
hydrogen fluoride cation |
26 |
rHF |
| MgOH |
magnesium hydroxide |
25 |
rMgO |
| CH2C(CH3)OCH3 |
1-Propene, 2-methoxy- |
25 |
rCO |
| CaOH |
Calcium monohydroxide |
23 |
rHO |
| C2HF3 |
Trifluoroethylene |
23 |
rCF |
| CH3ONO |
Methyl nitrite |
23 |
rCO |
| CSe |
Carbon monoselenide |
23 |
rCSe |
| C4H10O |
Methyl propyl ether |
21 |
rCO |
| C5H8O |
Cyclopentanone |
21 |
rCC |
| C3H8O2 |
Methane, dimethoxy- |
20 |
rCO |
| Be2 |
Beryllium diatomic |
20 |
rBeBe |
| GeH |
germylidene |
20 |
rHGe |
| C2H3N3 |
1H-1,2,4-Triazole |
19 |
rCN |
| C4H10O |
Propane, 2-methoxy- |
19 |
rCO |
| C3O2 |
Carbon suboxide |
19 |
rCO |
| C6H6 |
Fulvene |
19 |
rCH |
| C4H8O2 |
1,3-Dioxolane, 2-methyl- |
18 |
rCO |
| CH3OCHO |
methyl formate |
18 |
rCO |
| HOBr |
Hypobromous acid |
18 |
rOH |
| Si(CH3)4 |
tetramethylsilane |
18 |
rSiC |
| LiOH |
lithium hydroxide |
17 |
rLiO |
| NO3 |
Nitrogen trioxide |
17 |
rNO |
| CH3OC2H5 |
Ethane, methoxy- |
17 |
rCO |
| H2CS |
Thioformaldehyde |
17 |
rCS |
| C4H10O |
Ethoxy ethane |
17 |
rCO |
| C4H5N |
Cyclopropanecarbonitrile |
17 |
rCC |
| C2H3N3 |
1H-1,2,4-Triazole |
16 |
rCN |
| CH2C(CH3)OCH3 |
1-Propene, 2-methoxy- |
16 |
rCO |
| N3 |
azide radical |
16 |
rNN |
| NO |
Nitric oxide |
16 |
rNO |
| HCl |
Hydrogen chloride |
15 |
rHCl |
| C2H5F |
fluoroethane |
15 |
rCF |
| C3H3NO |
Oxazole |
15 |
rCO |
| C6H5OCH3 |
Anisole |
14 |
rCO |
| CH3OCHO |
methyl formate |
14 |
rCO |
| CH3OC2H5 |
Ethane, methoxy- |
14 |
rCO |
| CH3OCH3 |
Dimethyl ether |
14 |
rCO |
| CH2NN |
diazomethane |
14 |
rNN |
| HNCO |
Isocyanic acid |
14 |
rCO |
| HO2 |
Hydroperoxy radical |
13 |
rOH |
| OCSe |
Carbonyl selenide |
13 |
rCO |
| C5H8O |
Methyl cyclopropyl ketone |
13 |
rCC |
| C4H10O |
Methyl propyl ether |
13 |
rCO |
| C3H3NO |
Oxazole |
12 |
rCO |
| C(CH3)3NH2 |
2-Propanamine, 2-methyl- |
12 |
rCC |
| C(CH3)3NH2 |
2-Propanamine, 2-methyl- |
11 |
rCH |
| C2H5F |
fluoroethane |
11 |
rCC |
| C5H8 |
Ethenylcyclopropane |
11 |
rCC |
| C5H12O |
Butane, 1-methoxy- |
10 |
rCO |
| C6H8 |
Bicyclo[2.1.1]hex-2-ene |
10 |
rCC |
| CFCl3 |
Trichloromonofluoromethane |
10 |
rCF |
| C3H4 |
cyclopropene |
10 |
rCH |
| C3H4 |
cyclopropene |
10 |
rCH |
| C4H5N |
(E)-2-Butenenitrile |
10 |
rCC |
| C4H5N |
Cyclopropanecarbonitrile |
10 |
rCC |
| MgOH |
magnesium hydroxide |
10 |
rOH |
| HI |
Hydrogen iodide |
10 |
rHI |
| HOCl |
hypochlorous acid |
10 |
rOH |
| OCSe |
Carbonyl selenide |
9 |
rCSe |
| C4 |
Carbon tetramer |
9 |
rCC |
| CH2FCl |
fluorochloromethane |
9 |
rCF |
| CH2CO |
Ketene |
8 |
rCO |
| CH2CHCHO |
Acrolein |
8 |
rCC |
| CH2CHCHO |
Acrolein |
8 |
rCO |
| C4H8O2 |
Ethyl acetate |
8 |
rCO |
| C4H4N2 |
1,3-Diazine |
8 |
rCN |
| CH3COCH2CH3 |
2-Butanone |
8 |
rCC |
| CHF2Cl |
difluorochloromethane |
8 |
rCF |
| H2O |
Water |
8 |
rOH |
| CH3NC |
methyl isocyanide |
7 |
rCN |
| HClO4 |
perchloric acid |
7 |
rOCl |
| CH3CH2CHO |
Propanal |
6 |
rCC |
| HClO4 |
perchloric acid |
6 |
rOCl |
| ClCN |
chlorocyanogen |
6 |
rCN |
| C3H4N2 |
1H-Imidazole |
6 |
rCN |
| C3O2 |
Carbon suboxide |
6 |
rCC |
| C3H2N2 |
Malononitrile |
6 |
rCC |
| BF3 |
Borane, trifluoro- |
6 |
rBF |
| C5H10 |
2-Pentene, (E)- |
6 |
rCC |
| C5H8 |
Cyclopentene |
6 |
rCC |
| CH2NN |
diazomethane |
6 |
rCN |
| C6H5OH |
phenol |
6 |
rCO |
| C6H8 |
1,3-Cyclohexadiene |
5 |
rCC |
| C6H8 |
1,3-Cyclohexadiene |
5 |
rCH |
| C6H8 |
1,3-Cyclohexadiene |
5 |
rCH |
| CH3CH(NH2)COOH |
Alanine |
5 |
rCC |
| C4H6 |
Methylenecyclopropane |
5 |
rCC |
| C4H6O |
Cyclobutanone |
5 |
rCC |
| C3H8O2 |
Methane, dimethoxy- |
5 |
rCO |
| CH3NC |
methyl isocyanide |
5 |
rCN |
| CH3NHCH3 |
Dimethylamine |
5 |
rCH |
| NH2CONH2 |
Urea |
5 |
rNH |
| LiOH |
lithium hydroxide |
4 |
rOH |
| CH3CH2CHO |
Propanal |
4 |
rCC |
| CH3CH2CHO |
Propanal |
4 |
rCH |
| CH3CH2CHO |
Propanal |
4 |
rCH |
| CH3CH2CHO |
Propanal |
4 |
rCH |
| CH3CH2CHO |
Propanal |
4 |
rCH |
| HBr |
hydrogen bromide |
4 |
rHBr |
| C3H4O |
Cyclopropanone |
4 |
rCC |
| C3H6 |
Cyclopropane |
4 |
rCC |
| C4H5NO |
3-Methylisoxazole |
4 |
rCC |
| C4H6 |
Bicyclo[1.1.0]butane |
4 |
rCC |
| C2H3N3 |
1H-1,2,4-Triazole |
4 |
rCN |
| C5H10S |
2H-Thiopyran, tetrahydro- |
4 |
rCC |
| C5H8 |
Ethenylcyclopropane |
4 |
rCC |
| C5H7N |
Cyclobutanecarbonitrile |
4 |
rCC |
| C5H6 |
Bicyclo[2.1.0]pent-2-ene |
4 |
rCC |
| CCl2O |
Phosgene |
4 |
rCO |
| CH2 |
Methylene |
3 |
rHC |
| C5H8 |
Spiropentane |
3 |
rCC |
| C6H12 |
2-Pentene, 3-methyl-, (E)- |
3 |
rCC |
| C5H10 |
2-Pentene, (Z)- |
3 |
rCC |
| C4H6S |
Thiophene, 2,5-dihydro- |
3 |
rCH |
| C2H2O2 |
Ethanedial |
3 |
rCH |
| C2H |
Ethynyl radical |
3 |
rCC |
| C3H8O2 |
1,3-Propanediol |
3 |
rOH |
| C3H4N2 |
1H-Imidazole |
3 |
rCN |
| CH3CH2NH2 |
Ethylamine |
3 |
rCH |
| CH3ONO |
Methyl nitrite |
3 |
rCH |
| CH3ONO |
Methyl nitrite |
3 |
rCH |
| CH3COCl |
Acetyl Chloride |
3 |
rCO |
| CH3NH2 |
methyl amine |
2 |
rCN |
| CH3NH2 |
methyl amine |
2 |
rNH |
| 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 |
| P2H4 |
H2PPH2 |
2 |
rPH |
| P2H4 |
H2PPH2 |
2 |
rPH |
| C2H2 |
Acetylene |
2 |
rCC |
| BN |
boron nitride |
2 |
rBN |
| AsH3 |
Arsine |
2 |
rHAs |
| C5H10 |
2-Pentene, (Z)- |
2 |
rCH |
| C5H10O |
2-Butanone, 3-methyl- |
2 |
rCC |
| C5H10O |
2-Butanone, 3-methyl- |
2 |
rCH |
| C6H5OCH3 |
Anisole |
2 |
rCO |
| C5H8 |
Bicyclo[2.1.0]pentane |
2 |
rCC |
| C5H8 |
Cyclobutane, methylene- |
2 |
rCC |
| C5H8 |
Cyclobutane, methylene- |
2 |
rCH |
| C6H6 |
Fulvene |
2 |
rCC |
| CH2CCHCH3 |
1,2-Butadiene |
2 |
rCC |
| CH3CH(NH2)COOH |
Alanine |
2 |
rCC |
| CH2CHCH2CH3 |
1-Butene |
1 |
rCC |
| CH2CHOCHCH2 |
Vinyl ether |
1 |
rCO |
| CH2C(CH3)OCH3 |
1-Propene, 2-methoxy- |
1 |
rCH |
| C6H6 |
Fulvene |
1 |
rCC |
| C6H8 |
1,3,5-Hexatriene, (Z)- |
1 |
rCC |
| C8H8 |
cyclooctatetraene |
1 |
rCC |
| C5H8 |
Bicyclo[2.1.0]pentane |
1 |
rCC |
| C5H8O |
2H-Pyran, 3,4-dihydro- |
1 |
rCC |
| C6H12 |
Cyclohexane |
1 |
rCH |
| C6H5NH2 |
aniline |
1 |
rCC |
| C5H5N |
Pyridine |
1 |
rCC |
| C5H10O |
2-Butanone, 3-methyl- |
1 |
rCC |
| C5H10 |
2-Pentene, (Z)- |
1 |
rCH |
| C5H10 |
2-Pentene, (Z)- |
1 |
rCC |
| C10H8 |
naphthalene |
1 |
rCC |
| C2H2O2 |
Ethanedial |
1 |
rCC |
| C2H3N3 |
1H-1,2,4-Triazole |
1 |
rCN |
| C2H4F2 |
1,2-difluoroethane |
1 |
rCC |
| C2H5N |
Aziridine |
1 |
rCH |
| C2H5N |
Aziridine |
1 |
rCH |
| C3H4N2 |
1H-Imidazole |
1 |
rCN |
| C3H4N2 |
1H-Pyrazole |
1 |
rCH |
| C3H4N2 |
1H-Pyrazole |
1 |
rCH |
| C3H4N2 |
1H-Pyrazole |
1 |
rCH |
| C3H4N2 |
1H-Imidazole |
1 |
rCH |
| C3H4N2 |
1H-Imidazole |
1 |
rCH |
| C3H4N2 |
1H-Imidazole |
1 |
rCH |
| C3H6O |
2-Propen-1-ol |
1 |
rCH |
| C3H5ClO |
Oxirane, (chloromethyl)- |
1 |
rCC |
| C4H6 |
Bicyclo[1.1.0]butane |
1 |
rCH |
| C4H6 |
Cyclobutene |
1 |
rCC |
| C4H5NO |
Isoxazole, 5-methyl- |
1 |
rCC |
| C4H4N2 |
1,3-Diazine |
1 |
rCN |
| C4H10O |
Propane, 2-methoxy- |
1 |
rCH |
| C4H10O |
Ethoxy ethane |
1 |
rCC |
| C4H10O |
Methyl propyl ether |
1 |
rCC |
| SiH3Cl |
chlorosilane |
1 |
rSiH |
| SiH4 |
Silane |
1 |
rSiH |
| SiH2Cl2 |
dichlorosilane |
1 |
rSiH |
| CH3COCl |
Acetyl Chloride |
1 |
rCC |
| CH3CH2SH |
ethanethiol |
1 |
rCH |
| CH3CH2SH |
ethanethiol |
1 |
rCH |
| CH3OCHO |
methyl formate |
1 |
rCH |
| CH3OCHO |
methyl formate |
1 |
rCH |
| H2Se |
Hydrogen selenide |
1 |
rHSe |
| CHF2Cl |
difluorochloromethane |
1 |
rCH |
