Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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PM3
5 | |||||||||||||||||||||||||
4 | |||||||||||||||||||||||||
3 | |||||||||||||||||||||||||
2 | |||||||||||||||||||||||||
1 | |||||||||||||||||||||||||
0 | |||||||||||||||||||||||||
1.50 | 1.55 | 1.60 | 1.65 | 1.70 | 1.75 | 1.80 | 1.85 | ||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.633 | 0.082 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | CSe+ | Carbon monoselenide cation | 1.511 |
Highest value | CSe- | Carbon monoselenide anion | 1.758 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
CSe- | Carbon monoselenide anion | 1.758 | 1 | 2 |
CSe | Carbon monoselenide | 1.591 | 1 | 2 |
CSe+ | Carbon monoselenide cation | 1.511 | 1 | 2 |
H2CSe | Selenoformaldehyde | 1.663 | 1 | 2 |
OCSe | Carbonyl selenide | 1.645 | 1 | 3 |