Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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BLYP/3-21G
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1.65 | 1.70 | 1.75 | 1.80 | 1.85 | 1.90 | 1.95 | 2.00 | 2.05 | 2.10 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.841 | 0.116 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | CSe+ | Carbon monoselenide cation | 1.688 |
Highest value | CH3SeH | Methane selenol | 2.012 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
CSe- | Carbon monoselenide anion | 1.899 | 1 | 2 |
CSe | Carbon monoselenide | 1.748 | 1 | 2 |
CSe+ | Carbon monoselenide cation | 1.688 | 1 | 2 |
H2CSe | Selenoformaldehyde | 1.793 | 1 | 2 |
CH3SeH | Methane selenol | 2.012 | 1 | 2 |
CSe2 | Carbon diselenide | 1.735 | 1 | 2 |
1.735 | 1 | 3 | ||
OCSe | Carbonyl selenide | 1.750 | 1 | 3 |
SCSe | Carbon sulfide selenide | 1.734 | 1 | 3 |
CH3SeCH3 | dimethylselenide | 2.007 | 1 | 2 |
2.007 | 1 | 3 | ||
C4H4Se | selenophene | 1.916 | 1 | 2 |
1.916 | 1 | 3 |