Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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B2PLYP=FULLultrafine/3-21G
5 | ||||||||||
4 | ||||||||||
3 | ||||||||||
2 | ||||||||||
1 | ||||||||||
0 | ||||||||||
2.41 | 2.42 | 2.43 | ||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.416 | 0.000 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | Na2S | Sodium sulfide | 2.416 |
Highest value | Na2S | Sodium sulfide | 2.416 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
Na2S | Sodium sulfide | 2.416 | 1 | 2 |
2.416 | 1 | 3 |