Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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ROMP2/aug-cc-pVTZ
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.63 | 1.63 | 1.63 | 1.63 | 1.64 | 1.64 | 1.64 | 1.64 | 1.64 | 1.65 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.634 | 0.006 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | CS2- | Carbon disulfide anion | 1.629 |
Highest value | OCS+ | Carbonyl sulfide cation | 1.643 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
CS2- | Carbon disulfide anion | 1.629 | 1 | 2 |
1.629 | 1 | 3 | ||
OCS+ | Carbonyl sulfide cation | 1.643 | 1 | 3 |