Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
You are here: Calculated > Geometry > Calculated geometry > One type of bond |
MP2=FULL/6-311G**
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.60 | 1.65 | 1.70 | 1.75 | 1.80 | 1.85 | 1.90 | 1.95 | 2.00 | 2.05 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.784 | 0.110 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | CSe+ | Carbon monoselenide cation | 1.611 |
Highest value | CH3SeH | Methane selenol | 1.955 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
CSe- | Carbon monoselenide anion | 1.788 | 1 | 2 |
CSe | Carbon monoselenide | 1.682 | 1 | 2 |
CSe+ | Carbon monoselenide cation | 1.611 | 1 | 2 |
H2CSe | Selenoformaldehyde | 1.751 | 1 | 2 |
CH3SeH | Methane selenol | 1.955 | 1 | 2 |
CSe2 | Carbon diselenide | 1.700 | 1 | 2 |
1.700 | 1 | 3 | ||
OCSe | Carbonyl selenide | 1.708 | 1 | 3 |
SCSe | Carbon sulfide selenide | 1.700 | 1 | 3 |
CH3SeCH3 | dimethylselenide | 1.945 | 1 | 2 |
1.945 | 1 | 3 | ||
C4H4Se | selenophene | 1.852 | 1 | 2 |
1.852 | 1 | 3 |