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/TZVP
5 | |||||||||||||||||||||||||
4 | |||||||||||||||||||||||||
3 | |||||||||||||||||||||||||
2 | |||||||||||||||||||||||||
1 | |||||||||||||||||||||||||
0 | |||||||||||||||||||||||||
1.70 | 1.75 | 1.80 | 1.85 | 1.90 | 1.95 | 2.00 | 2.05 | ||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.817 | 0.103 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SCSe | Carbon sulfide selenide | 1.718 |
Highest value | CH3SeCH3 | dimethylselenide | 1.959 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
CSe2 | Carbon diselenide | 1.720 | 1 | 2 |
1.720 | 1 | 3 | ||
OCSe | Carbonyl selenide | 1.719 | 1 | 3 |
SCSe | Carbon sulfide selenide | 1.718 | 1 | 3 |
CH3SeCH3 | dimethylselenide | 1.959 | 1 | 2 |
1.959 | 1 | 3 | ||
C4H4Se | selenophene | 1.873 | 1 | 2 |
1.873 | 1 | 3 |