Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
You are here: Calculated > Geometry > Calculated geometry > One type of bond |
MP4=FULL/3-21G
5 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
1.68 | 1.70 | 1.72 | 1.74 | 1.76 | 1.78 | 1.80 | 1.82 | 1.84 | 1.86 | 1.88 | 1.90 | 1.92 | ||||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.856 | 0.066 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | HOCl+ | hypochlorous acid cation | 1.688 |
Highest value | ClOOCl | Dichlorine dioxide | 1.909 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
HOCl | hypochlorous acid | 1.868 | 1 | 3 |
HOCl+ | hypochlorous acid cation | 1.688 | 1 | 3 |
OClO- | Chlorine dioxide anion | 1.860 | 1 | 2 |
1.860 | 1 | 3 | ||
ClOF | Chlorine hypofluorite | 1.877 | 1 | 2 |
ClOOCl | Dichlorine dioxide | 1.909 | 1 | 3 |
1.909 | 2 | 4 | ||
ClONO | chlorine nitrite | 1.871 | 1 | 2 |