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=FULL/cc-pV(T+d)Z
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
2.07 | 2.08 | 2.09 | 2.10 | 2.11 | 2.12 | 2.13 | 2.14 | 2.15 | 2.16 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.100 | 0.035 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | Li2S | dilithium sulfide | 2.075 |
Highest value | LiS | Lithium monosulfide | 2.149 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
LiS | Lithium monosulfide | 2.149 | 1 | 2 |
Li2S | dilithium sulfide | 2.075 | 1 | 2 |
2.075 | 1 | 3 |