Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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CISD/aug-cc-pV(T+d)Z
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.48 | 1.50 | 1.52 | 1.54 | 1.56 | 1.58 | 1.60 | 1.62 | 1.64 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.593 | 0.046 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | NS | Mononitrogen monosulfide | 1.491 |
Highest value | S2N2 | Disulfur dinitride | 1.617 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
NS | Mononitrogen monosulfide | 1.491 | 1 | 2 |
NNS | Nitrogen sulfide | 1.598 | 2 | 3 |
S2N2 | Disulfur dinitride | 1.617 | 1 | 3 |
1.617 | 1 | 4 | ||
1.617 | 2 | 3 | ||
1.617 | 2 | 4 |