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/cc-pVDZ
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.69 | 1.70 | 1.71 | 1.72 | 1.73 | 1.74 | 1.75 | 1.76 | 1.77 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.726 | 0.026 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | CSe | Carbon monoselenide | 1.697 |
Highest value | H2CSe | Selenoformaldehyde | 1.759 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
CSe | Carbon monoselenide | 1.697 | 1 | 2 |
H2CSe | Selenoformaldehyde | 1.759 | 1 | 2 |
OCSe | Carbonyl selenide | 1.722 | 1 | 3 |