Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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MP4/3-21G
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1.75 | 1.80 | 1.85 | 1.90 | 1.95 | 2.00 | 2.05 | 2.10 | ||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.875 | 0.100 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SCSe | Carbon sulfide selenide | 1.756 |
Highest value | CH3SeH | Methane selenol | 2.006 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
CSe- | Carbon monoselenide anion | 1.902 | 1 | 2 |
CSe | Carbon monoselenide | 1.837 | 1 | 2 |
CH3SeH | Methane selenol | 2.006 | 1 | 2 |
CSe2 | Carbon diselenide | 1.760 | 1 | 2 |
1.760 | 1 | 3 | ||
OCSe | Carbonyl selenide | 1.759 | 1 | 3 |
SCSe | Carbon sulfide selenide | 1.756 | 1 | 3 |
CH3SeCH3 | dimethylselenide | 2.001 | 1 | 2 |
2.001 | 1 | 3 | ||
C4H4Se | selenophene | 1.922 | 1 | 2 |
1.922 | 1 | 3 |