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 |
B2PLYP=FULL/3-21G
9 | |||||||||||||||||||||||||||||||
8 | |||||||||||||||||||||||||||||||
7 | |||||||||||||||||||||||||||||||
6 | |||||||||||||||||||||||||||||||
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.60 | 1.70 | 1.80 | 1.90 | 2.00 | 2.10 | 2.20 | 2.30 | 2.40 | 2.50 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.786 | 0.164 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | ClOF3 | Chlorine trifluoride oxide | 1.616 |
Highest value | HClO3 | Chloric Acid | 2.357 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
ClO | Monochlorine monoxide | 1.764 | 1 | 2 |
ClO+ | chlorine monoxide cation | 1.640 | 1 | 2 |
HOCl | hypochlorous acid | 1.836 | 1 | 3 |
HOCl+ | hypochlorous acid cation | 1.706 | 1 | 3 |
OClO- | Chlorine dioxide anion | 1.828 | 1 | 2 |
1.828 | 1 | 3 | ||
OClO | Chlorine dioxide | 1.713 | 1 | 2 |
1.713 | 1 | 3 | ||
ClOO | chloroperoxy radical | 1.840 | 1 | 2 |
FClO | chlorosyl fluoride | 1.673 | 2 | 3 |
ClOF | Chlorine hypofluorite | 1.839 | 1 | 2 |
ClOOCl | Dichlorine dioxide | 1.775 | 1 | 3 |
1.775 | 2 | 4 | ||
ClO2F | Chloryl fluoride | 1.643 | 1 | 3 |
1.643 | 1 | 4 | ||
ClONO | chlorine nitrite | 1.838 | 1 | 2 |
HClO3 | Chloric Acid | 2.029 | 1 | 2 |
2.357 | 1 | 3 | ||
1.662 | 1 | 4 | ||
ClOF3 | Chlorine trifluoride oxide | 1.616 | 1 | 2 |