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Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
You are here: Home > Geometry > Experimental > Internal Coordinates by type OR Experimental > Geometry > Internal Coordinates by type |
bond type | Species | Name | Length | Comment |
---|---|---|---|---|
rHC | CH2CHCH2F | Allyl Fluoride | 1.050 | |
rHC | CH2ClI | chloroiodomethane | 1.062 | |
rHC | C2H3NO | Nitrosoethylene | 1.070 | |
rHC | C6H6 | Trimethylenecycopropane | 1.072 | |
rHC | C2H2N2O | Furazan | 1.076 | |
rHC | C2H2N2S | 1,3,4-Thiadiazole | 1.077 | |
rHC | CH2CHCH2F | Allyl Fluoride | 1.080 | |
rHC | C7H8 | Norbornadiene | 1.081 | |
rHC | C6H4Cl2 | 1,4-dichlorobenzene | 1.081 | |
rHC | CH2FI | fluoroiodomethane | 1.082 | |
rHC | C6H4Cl2 | 1,3-dichlorobenzene | 1.085 | |
rHC | C2H5I | Ethyl iodide | 1.086 | |
rHC | CH3SSH | Hydrogen methyl disulfide | 1.087 | |
rHC | CH3SSH | Hydrogen methyl disulfide | 1.087 | |
rHC | CH3SSH | Hydrogen methyl disulfide | 1.089 | |
rHC | CHSNH2 | thioformamide | 1.090 | |
rHC | CH2CHCH2F | Allyl Fluoride | 1.090 | assumed |
rHC | CH2CHCH2F | Allyl Fluoride | 1.090 | assumed |
rHC | CH2CHCH2F | Allyl Fluoride | 1.090 | |
rHC | C7H8 | Norbornadiene | 1.090 | |
rHC | H2CSe | Selenoformaldehyde | 1.090 | rs |
rHC | C6H4Cl2 | 1,3-dichlorobenzene | 1.091 | |
rHC | C6H4Cl2 | 1,3-dichlorobenzene | 1.091 | |
rHC | CH2ClCCCl | 1,3-dichloropropyne | 1.093 | |
rHC | CH2ClCHO | chloroacetaldehyde | 1.093 | |
rHC | C2H5I | Ethyl iodide | 1.093 | ass. |
rHC | C2H5I | Ethyl iodide | 1.093 | |
rHC | C7H8 | Norbornadiene | 1.095 | |
rHC | CHOOCHO | diformyl ether | 1.096 | |
rHC | CH2CHCH2F | Allyl Fluoride | 1.098 | |
rHC | CHOOCHO | diformyl ether | 1.101 | |
rHC | CH3CSNH2 | Ethanethioamide | 1.102 | |
rHC | CH2CHCH2F | Allyl Fluoride | 1.105 | |
rHC | C5H8 | Bicyclo[1.1.1]pentane | 1.107 | |
rHC | C5H8 | Bicyclo[1.1.1]pentane | 1.107 | |
rHC | B(CH3)3 | trimethylborane | 1.114 | average of C-H bond lengths |
rHC | CH2BrCl | Methane, bromochloro- | 1.115 | assumed |
rHC | CH2CHCH2F | Allyl Fluoride | 1.120 | |
rHC | CH2CHCH2F | Allyl Fluoride | 1.130 | |
Average | 1.091 | ±0.015 | ||
Min | 1.050 | |||
Max | 1.130 |