Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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ROHF/cc-pCVDZ
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 |
---|---|
1.534 | 0.045 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | NS | Mononitrogen monosulfide | 1.485 |
Highest value | SNO | Nitrogen oxide sulfide | 1.605 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
NS | Mononitrogen monosulfide | 1.485 | 1 | 2 |
SNO | Nitrogen oxide sulfide | 1.605 | 1 | 2 |
NSO | sulfinyl amidogen | 1.512 | 1 | 2 |
FNS | Thionitrosyl fluoride | 1.534 | 1 | 2 |