| molecule |
name |
poor calculations |
bond description |
| Be2 |
Beryllium diatomic |
148 |
rBeBe |
| C3H8O2 |
1,3-Propanediol |
134 |
rOH |
| BrF5 |
bromine pentafluoride |
101 |
rFBr |
| ClFO3 |
Perchloryl fluoride |
101 |
rFCl |
| KCl |
Potassium Chloride |
94 |
rKCl |
| PCl5 |
Phosphorus pentachloride |
91 |
rPCl |
| CuF |
Copper monofluoride |
88 |
rCuF |
| SF4 |
Sulfur tetrafluoride |
87 |
rSF |
| NO3 |
Nitrogen trioxide |
85 |
rNO |
| LiO |
lithium oxide |
80 |
rLiO |
| ClF3 |
Chlorine trifluoride |
77 |
rFCl |
| BrF3 |
Bromine trifluoride |
77 |
rFBr |
| CuCl |
Copper monochloride |
76 |
rCuCl |
| CuO |
Copper Monoxide |
74 |
rCuO |
| CH3CH2O |
Ethoxy radical |
72 |
rCH |
| CH3CH2O |
Ethoxy radical |
72 |
rCH |
| CHF2Cl |
difluorochloromethane |
72 |
rCCl |
| SF4 |
Sulfur tetrafluoride |
69 |
rSF |
| CCl2 |
dichloromethylene |
68 |
rCCl |
| BrCl |
Bromine monochloride |
65 |
rClBr |
| CH3ONO |
Methyl nitrite |
65 |
rNO |
| ClFO3 |
Perchloryl fluoride |
64 |
rClO |
| SSO |
Disulfur monoxide |
62 |
rSS |
| PCl5 |
Phosphorus pentachloride |
61 |
rPCl |
| SCl |
sulfur monochloride |
61 |
rSCl |
| ClF3 |
Chlorine trifluoride |
61 |
rFCl |
| CH3NO3 |
Methyl nitrate |
61 |
rNO |
| AlN |
Aluminum nitride |
61 |
rNAl |
| CH2FCl |
fluorochloromethane |
61 |
rCCl |
| CH2O2 |
Dioxirane |
59 |
rOO |
| Br2 |
Bromine diatomic |
57 |
rBrBr |
| SeO |
Selenium monoxide |
57 |
rSeO |
| HOBr |
Hypobromous acid |
55 |
rBrO |
| BrF |
Bromine monofluoride |
55 |
rFBr |
| C2H6O2S |
Dimethyl sulfone |
54 |
rSO |
| CH2O2 |
Dioxirane |
54 |
rCO |
| SSO |
Disulfur monoxide |
54 |
rSO |
| PF5 |
Phosphorus pentafluoride |
53 |
rPF |
| BrF3 |
Bromine trifluoride |
53 |
rFBr |
| HNO3 |
Nitric acid |
52 |
rNO |
| HOCl |
hypochlorous acid |
51 |
rClO |
| SeO2 |
Selenium dioxide |
51 |
rSeO |
| C6H6 |
Fulvene |
51 |
rCH |
| SiH2Cl2 |
dichlorosilane |
50 |
rSiCl |
| SOCl2 |
thionyl chloride |
50 |
rSO |
| PCl |
phosphorus chloride |
50 |
rPCl |
| HO2 |
Hydroperoxy radical |
50 |
rOO |
| SiH3F |
monofluorosilane |
49 |
rSiF |
| PO2 |
Phosphorus dioxide |
49 |
rPO |
| CH3Br |
methyl bromide |
49 |
rCBr |
| Se2 |
Selenium diatomic |
48 |
rSeSe |
| CH3COCl |
Acetyl Chloride |
47 |
rCCl |
| BrF5 |
bromine pentafluoride |
47 |
rFBr |
| C2Cl2 |
dichloroacetylene |
47 |
rCCl |
| CH3OC2H5 |
Ethane, methoxy- |
46 |
rCO |
| SiHCl3 |
Trichlorosilane |
46 |
rSiCl |
| C2H6O2S |
Dimethyl sulfone |
44 |
rCS |
| CH3OC2H5 |
Ethane, methoxy- |
43 |
rCO |
| N2O3 |
Dinitrogen trioxide |
43 |
rNO |
| CCl2O |
Phosgene |
42 |
rCCl |
| C5H10 |
2-Pentene, (E)- |
41 |
rCC |
| CH2ClCH2Cl |
Ethane, 1,2-dichloro- |
40 |
rCCl |
| FO |
Oxygen monofluoride |
40 |
rFO |
| SiH3Cl |
chlorosilane |
39 |
rSiCl |
| SiF4 |
Silicon tetrafluoride |
38 |
rSiF |
| N2O3 |
Dinitrogen trioxide |
38 |
rNO |
| CH3SCH2CH3 |
Ethane, (methylthio)- |
36 |
rCS |
| CH2Br2 |
dibromomethane |
36 |
rCBr |
| C6H6 |
Fulvene |
35 |
rCC |
| PF5 |
Phosphorus pentafluoride |
35 |
rPF |
| C6H6 |
Fulvene |
34 |
rCC |
| CFCl3 |
Trichloromonofluoromethane |
34 |
rCCl |
| C6H6 |
Fulvene |
33 |
rCC |
| C6H6 |
Fulvene |
33 |
rCC |
| C6H6 |
Fulvene |
33 |
rCH |
| CHBr3 |
bromoform |
33 |
rCBr |
| CHClCCl2 |
Trichloroethylene |
33 |
rCCl |
| CHClCCl2 |
Trichloroethylene |
33 |
rCCl |
| ClCN |
chlorocyanogen |
33 |
rCCl |
| CH3OC2H5 |
Ethane, methoxy- |
29 |
rCH |
| CH3SCH2CH3 |
Ethane, (methylthio)- |
28 |
rCS |
| CH3ONO |
Methyl nitrite |
28 |
rNO |
| C5H8 |
Bicyclo[2.1.0]pentane |
28 |
rCC |
| CBr4 |
Carbon tetrabromide |
28 |
rCBr |
| N2O3 |
Dinitrogen trioxide |
27 |
rNO |
| MgOH |
magnesium hydroxide |
24 |
rMgO |
| CH2C(CH3)OCH3 |
1-Propene, 2-methoxy- |
24 |
rCO |
| C2Cl2 |
dichloroacetylene |
24 |
rCC |
| C2HF3 |
Trifluoroethylene |
23 |
rCF |
| CH3ONO |
Methyl nitrite |
23 |
rCO |
| C3H8O2 |
Methane, dimethoxy- |
21 |
rCO |
| C4H10O |
Methyl propyl ether |
21 |
rCO |
| C5H6 |
Bicyclo[2.1.0]pent-2-ene |
21 |
rCC |
| C4H10O |
Propane, 2-methoxy- |
19 |
rCO |
| C4H8O2 |
1,3-Dioxane |
19 |
rCO |
| C4H8O2 |
1,3-Dioxolane, 2-methyl- |
18 |
rCO |
| C3O2 |
Carbon suboxide |
18 |
rCO |
| Si(CH3)4 |
tetramethylsilane |
18 |
rSiC |
| CH3OCHO |
methyl formate |
17 |
rCO |
| H2CS |
Thioformaldehyde |
17 |
rCS |
| C4H10O |
Ethoxy ethane |
17 |
rCO |
| C2H3N3 |
1H-1,2,4-Triazole |
17 |
rCN |
| C4H8O2 |
Ethyl acetate |
16 |
rCO |
| C6H10 |
Bicyclo[3.1.0]hexane |
16 |
rCC |
| CH2C(CH3)OCH3 |
1-Propene, 2-methoxy- |
16 |
rCO |
| C2H5F |
fluoroethane |
15 |
rCF |
| C3H3NO |
Oxazole |
15 |
rCO |
| C2H3N3 |
1H-1,2,4-Triazole |
14 |
rCN |
| HOBr |
Hypobromous acid |
14 |
rOH |
| CH3OCHO |
methyl formate |
14 |
rCO |
| CH3OCH3 |
Dimethyl ether |
14 |
rCO |
| HNCO |
Isocyanic acid |
13 |
rCO |
| LiOH |
lithium hydroxide |
13 |
rLiO |
| C4H10O |
Methyl propyl ether |
13 |
rCO |
| C3H3NO |
Oxazole |
12 |
rCO |
| C6H10 |
Bicyclo[3.1.0]hexane |
12 |
rCC |
| C6H10 |
Bicyclo[3.1.0]hexane |
12 |
rCC |
| OCSe |
Carbonyl selenide |
12 |
rCO |
| C6H10 |
Bicyclo[3.1.0]hexane |
11 |
rCH |
| C6H10 |
Bicyclo[3.1.0]hexane |
11 |
rCH |
| C3H4 |
cyclopropene |
11 |
rCH |
| C3H4 |
cyclopropene |
11 |
rCH |
| C2H5F |
fluoroethane |
11 |
rCC |
| C5H8 |
1,3-Butadiene, 2-methyl- |
10 |
rCC |
| C5H8 |
1,3-Butadiene, 2-methyl- |
10 |
rCH |
| C5H12O |
Butane, 1-methoxy- |
10 |
rCO |
| CFCl3 |
Trichloromonofluoromethane |
10 |
rCF |
| CH2FCl |
fluorochloromethane |
9 |
rCF |
| C5H8O |
Cyclopentanone |
9 |
rCC |
| C5H8 |
1,3-Butadiene, 2-methyl- |
8 |
rCC |
| CH2CHCHO |
Acrolein |
8 |
rCC |
| CH2CHCHO |
Acrolein |
8 |
rCO |
| OCSe |
Carbonyl selenide |
8 |
rCSe |
| MgOH |
magnesium hydroxide |
8 |
rOH |
| HO2 |
Hydroperoxy radical |
8 |
rOH |
| CHF2Cl |
difluorochloromethane |
8 |
rCF |
| H2O |
Water |
7 |
rOH |
| CH2CO |
Ketene |
7 |
rCO |
| C6H5OCH3 |
Anisole |
7 |
rCO |
| C4H4N2 |
1,3-Diazine |
7 |
rCN |
| C3O2 |
Carbon suboxide |
6 |
rCC |
| C4H8O2 |
Ethyl acetate |
6 |
rCO |
| C5H10 |
2-Pentene, (E)- |
6 |
rCC |
| C3H2N2 |
Malononitrile |
6 |
rCC |
| BF3 |
Borane, trifluoro- |
6 |
rBF |
| C6H5OH |
phenol |
6 |
rCO |
| C5H8 |
Cyclopentene |
6 |
rCC |
| CH3CH2CHO |
Propanal |
6 |
rCC |
| HOCl |
hypochlorous acid |
6 |
rOH |
| CH3NC |
methyl isocyanide |
6 |
rCN |
| CH3NC |
methyl isocyanide |
5 |
rCN |
| CH3NHCH3 |
Dimethylamine |
5 |
rCH |
| ClCN |
chlorocyanogen |
5 |
rCN |
| CH3CH(NH2)COOH |
Alanine |
5 |
rCC |
| C4H6 |
Methylenecyclopropane |
5 |
rCC |
| C4H6O |
Cyclobutanone |
5 |
rCC |
| C3H8O2 |
Methane, dimethoxy- |
5 |
rCO |
| C3H4O |
Cyclopropanone |
4 |
rCC |
| C3H6 |
Cyclopropane |
4 |
rCC |
| C4H6 |
Bicyclo[1.1.0]butane |
4 |
rCC |
| CH3CH2CHO |
Propanal |
4 |
rCH |
| CH3CH2CHO |
Propanal |
4 |
rCH |
| CH3CH2CHO |
Propanal |
4 |
rCH |
| CH3CH2CHO |
Propanal |
4 |
rCH |
| CH3CH2CHO |
Propanal |
4 |
rCC |
| C6H8 |
1,3-Cyclohexadiene |
4 |
rCC |
| C6H8 |
1,3-Cyclohexadiene |
4 |
rCH |
| C6H8 |
1,3-Cyclohexadiene |
4 |
rCH |
| C5H10S |
2H-Thiopyran, tetrahydro- |
4 |
rCC |
| C5H6 |
Bicyclo[2.1.0]pent-2-ene |
4 |
rCC |
| C5H7N |
Cyclobutanecarbonitrile |
4 |
rCC |
| NH2CONH2 |
Urea |
4 |
rNH |
| HBr |
hydrogen bromide |
4 |
rHBr |
| LiOH |
lithium hydroxide |
3 |
rOH |
| CH3ONO |
Methyl nitrite |
3 |
rCH |
| CH3ONO |
Methyl nitrite |
3 |
rCH |
| CH3COCl |
Acetyl Chloride |
3 |
rCO |
| C5H8 |
Spiropentane |
3 |
rCC |
| CCl2O |
Phosgene |
3 |
rCO |
| CH3CH2NH2 |
Ethylamine |
3 |
rCH |
| CH3CH2O |
Ethoxy radical |
3 |
rCH |
| C4H6S |
Thiophene, 2,5-dihydro- |
3 |
rCH |
| C4H8O2 |
Ethyl acetate |
3 |
rCO |
| C5H10 |
2-Pentene, (Z)- |
3 |
rCC |
| C3H8O2 |
1,3-Propanediol |
3 |
rOH |
| C2H |
Ethynyl radical |
3 |
rCC |
| C2H2O2 |
Ethanedial |
3 |
rCH |
| C2H3N3 |
1H-1,2,4-Triazole |
3 |
rCN |
| C3H4N2 |
1H-Imidazole |
2 |
rCN |
| C2H2 |
Acetylene |
2 |
rCC |
| BN |
boron nitride |
2 |
rBN |
| C4H8O2 |
Ethyl acetate |
2 |
rCC |
| CH2CCHCH3 |
1,2-Butadiene |
2 |
rCC |
| CH2CHCH2CH3 |
1-Butene |
2 |
rCC |
| C5H8O |
Methyl cyclopropyl ketone |
2 |
rCC |
| C6H5OCH3 |
Anisole |
2 |
rCO |
| C5H8 |
Cyclobutane, methylene- |
2 |
rCC |
| C5H8 |
Cyclobutane, methylene- |
2 |
rCH |
| C5H10 |
2-Pentene, (Z)- |
2 |
rCH |
| C5H10O |
2-Butanone, 3-methyl- |
2 |
rCC |
| CH3NH2 |
methyl amine |
2 |
rCN |
| CH3NH2 |
methyl amine |
2 |
rNH |
| P2H4 |
H2PPH2 |
2 |
rPH |
| P2H4 |
H2PPH2 |
2 |
rPH |
| H2Se |
Hydrogen selenide |
1 |
rHSe |
| CH3CH2SH |
ethanethiol |
1 |
rCH |
| CH3CH2SH |
ethanethiol |
1 |
rCH |
| CH3COCl |
Acetyl Chloride |
1 |
rCC |
| CH3OCHO |
methyl formate |
1 |
rCH |
| CH3OCHO |
methyl formate |
1 |
rCH |
| CHF2Cl |
difluorochloromethane |
1 |
rCH |
| CHONH2 |
formamide |
1 |
rNH |
| CHONH2 |
formamide |
1 |
rNH |
| SiH3Cl |
chlorosilane |
1 |
rSiH |
| SiH2Cl2 |
dichlorosilane |
1 |
rSiH |
| SiH4 |
Silane |
1 |
rSiH |
| C5H10O |
2-Butanone, 3-methyl- |
1 |
rCC |
| C5H10O |
2-Butanone, 3-methyl- |
1 |
rCH |
| C5H5N |
Pyridine |
1 |
rCC |
| C5H6 |
1-Buten-3-yne, 2-methyl- |
1 |
rCC |
| C5H8 |
Bicyclo[2.1.0]pentane |
1 |
rCC |
| C5H8 |
Bicyclo[2.1.0]pentane |
1 |
rCC |
| C6H8 |
1,3,5-Hexatriene, (Z)- |
1 |
rCC |
| C5H8O |
2H-Pyran, 3,4-dihydro- |
1 |
rCC |
| C6H12 |
Cyclohexane |
1 |
rCH |
| C6H5NH2 |
aniline |
1 |
rCC |
| CH2CHCH2CH3 |
1-Butene |
1 |
rCC |
| C8H8 |
cyclooctatetraene |
1 |
rCC |
| CH3CH(NH2)COOH |
Alanine |
1 |
rCC |
| CH2CHOCHCH2 |
Vinyl ether |
1 |
rCO |
| C4H8O2 |
Ethyl acetate |
1 |
rCC |
| C4H6 |
Bicyclo[1.1.0]butane |
1 |
rCH |
| C4H6 |
Cyclobutene |
1 |
rCC |
| C4H6O2 |
2,3-Butanedione |
1 |
rCC |
| C5H10 |
2-Pentene, (Z)- |
1 |
rCH |
| C5H10 |
2-Pentene, (Z)- |
1 |
rCC |
| C3H5ClO |
Oxirane, (chloromethyl)- |
1 |
rCC |
| C4H10O |
Ethoxy ethane |
1 |
rCC |
| C4H10O |
Methyl propyl ether |
1 |
rCC |
| C4H4N2 |
1,3-Diazine |
1 |
rCN |
| C4H10O |
Propane, 2-methoxy- |
1 |
rCH |
| C2H2O2 |
Ethanedial |
1 |
rCC |
| C(CH3)3NH2 |
2-Propanamine, 2-methyl- |
1 |
rCC |
| C10H8 |
naphthalene |
1 |
rCC |
| C3H4N2 |
1H-Imidazole |
1 |
rCN |
| C2H5N |
Aziridine |
1 |
rCH |
| C2H5N |
Aziridine |
1 |
rCH |
| C2H3N3 |
1H-1,2,4-Triazole |
1 |
rCN |
