Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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B2PLYP/aug-cc-pV(T+d)Z
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1.85 | 1.90 | 1.95 | 2.00 | 2.05 | 2.10 | 2.15 | 2.20 | 2.25 | 2.30 | 2.35 | 2.40 | ||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.070 | 0.161 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | S2F2 | Thio-thionyl fluoride | 1.865 |
Highest value | Si3H8 | trisilane | 2.347 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
H2S2 | Disulfane | 2.065 | 1 | 2 |
H2S2+ | hydrogen disulfide cation | 2.002 | 1 | 2 |
S3+ | Sulfur trimer cation | 1.941 | 1 | 2 |
1.941 | 1 | 3 | ||
HSSSH | trisulfane | 2.063 | 1 | 2 |
2.063 | 1 | 3 | ||
Si3H8 | trisilane | 2.347 | 1 | 2 |
2.347 | 1 | 3 | ||
S2F2 | Thio-thionyl fluoride | 1.865 | 1 | 2 |