Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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ROMP2/cc-pCVDZ
5 | ||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||
1.51 | 1.52 | 1.53 | 1.54 | 1.55 | 1.56 | 1.57 | 1.58 | 1.59 | 1.60 | 1.61 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.567 | 0.034 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | NS | Mononitrogen monosulfide | 1.510 |
Highest value | SNO | Nitrogen oxide sulfide | 1.598 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
NS | Mononitrogen monosulfide | 1.510 | 1 | 2 |
SNO | Nitrogen oxide sulfide | 1.598 | 1 | 2 |
NSO | sulfinyl amidogen | 1.573 | 1 | 2 |
FNS | Thionitrosyl fluoride | 1.587 | 1 | 2 |