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 |
SVWN/6-31+G**
5 | ||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||
1.70 | 1.72 | 1.74 | 1.76 | 1.78 | 1.80 | 1.82 | 1.84 | 1.86 | 1.88 | 1.90 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.781 | 0.059 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | AlN- | aluminum mononitride anion | 1.714 |
Highest value | AlNC | Aluminum isocyanide | 1.874 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
AlN- | aluminum mononitride anion | 1.714 | 1 | 2 |
AlN | Aluminum nitride | 1.783 | 1 | 2 |
AlN+ | aluminum mononitride cation | 1.753 | 1 | 2 |
AlNC | Aluminum isocyanide | 1.874 | 1 | 2 |