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 |
MP4/6-311G**
18 | ||||||||||||||||||||||||||||||||||
16 | ||||||||||||||||||||||||||||||||||
14 | ||||||||||||||||||||||||||||||||||
12 | ||||||||||||||||||||||||||||||||||
10 | ||||||||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||
1.40 | 1.50 | 1.60 | 1.70 | 1.80 | 1.90 | 2.00 | 2.10 | 2.20 | 2.30 | 2.40 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.619 | 0.171 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | ClOF3 | Chlorine trifluoride oxide | 1.444 |
Highest value | HClO3 | Chloric Acid | 2.240 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
ClO- | chlorine monoxide anion | 1.791 | 1 | 2 |
ClO+ | chlorine monoxide cation | 1.485 | 1 | 2 |
HOCl | hypochlorous acid | 1.739 | 1 | 3 |
HOCl+ | hypochlorous acid cation | 1.578 | 1 | 3 |
OClO- | Chlorine dioxide anion | 1.619 | 1 | 2 |
1.619 | 1 | 3 | ||
OClO+ | Chlorine dioxide cation | 1.529 | 1 | 2 |
1.529 | 1 | 3 | ||
FClO | chlorosyl fluoride | 1.526 | 2 | 3 |
ClOF | Chlorine hypofluorite | 1.729 | 1 | 2 |
BrOCl | Bromine hypochlorite | 1.751 | 1 | 3 |
HOClO | Chlorous acid | 1.842 | 1 | 2 |
1.529 | 1 | 3 | ||
CH3OCl | methyl hypochlorite | 1.740 | 1 | 2 |
ClOOCl | Dichlorine dioxide | 1.818 | 1 | 3 |
1.818 | 2 | 4 | ||
ClO2F | Chloryl fluoride | 1.471 | 1 | 3 |
1.471 | 1 | 4 | ||
ClO3- | chlorate anion | 1.524 | 1 | 2 |
1.524 | 1 | 3 | ||
1.524 | 1 | 4 | ||
ClONO | chlorine nitrite | 1.744 | 1 | 2 |
HClO3 | Chloric Acid | 1.849 | 1 | 2 |
2.240 | 1 | 3 | ||
1.477 | 1 | 4 | ||
ClONO2 | Chlorine nitrate | 1.721 | 1 | 2 |
ClO4- | perchlorate anion | 1.488 | 1 | 2 |
1.488 | 1 | 3 | ||
1.488 | 1 | 4 | ||
1.488 | 1 | 5 | ||
ClOF3 | Chlorine trifluoride oxide | 1.444 | 1 | 2 |
HClO4 | perchloric acid | 1.446 | 1 | 2 |
1.722 | 1 | 3 | ||
1.456 | 1 | 4 | ||
1.456 | 1 | 5 |