Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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MP2/cc-pCVDZ
5 | |||||||||||||||||||||||||
4 | |||||||||||||||||||||||||
3 | |||||||||||||||||||||||||
2 | |||||||||||||||||||||||||
1 | |||||||||||||||||||||||||
0 | |||||||||||||||||||||||||
1.45 | 1.50 | 1.55 | 1.60 | 1.65 | 1.70 | 1.75 | 1.80 | ||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.608 | 0.099 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | FSN | Thiazyl fluoride | 1.452 |
Highest value | S2N2 | Disulfur dinitride | 1.707 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
NS | Mononitrogen monosulfide | 1.535 | 1 | 2 |
SNO | Nitrogen oxide sulfide | 1.596 | 1 | 2 |
NSO | sulfinyl amidogen | 1.471 | 1 | 2 |
FNS | Thionitrosyl fluoride | 1.587 | 1 | 2 |
FSN | Thiazyl fluoride | 1.452 | 1 | 2 |
S2N2 | Disulfur dinitride | 1.707 | 1 | 3 |
1.707 | 1 | 4 | ||
1.707 | 2 | 3 | ||
1.707 | 2 | 4 |