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=FULLultrafine/6-31G*
10 | |||||||||||||||||||||||||||||||
8 | |||||||||||||||||||||||||||||||
6 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.78 | 1.78 | 1.78 | 1.78 | 1.78 | 1.78 | 1.78 | 1.78 | 1.78 | 1.78 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.783 | 0.000 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | B12H12-- | Dodecahydrododecaborate(2-) | 1.783 |
Highest value | B12H12-- | Dodecahydrododecaborate(2-) | 1.783 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
B12H12-- | Dodecahydrododecaborate(2-) | 1.783 | 1 | 2 |
1.783 | 1 | 3 | ||
1.783 | 2 | 3 | ||
1.783 | 1 | 4 | ||
1.783 | 3 | 4 | ||
1.783 | 1 | 5 | ||
1.783 | 4 | 5 | ||
1.783 | 1 | 6 | ||
1.783 | 2 | 6 | ||
1.783 | 5 | 6 | ||
1.783 | 2 | 8 | ||
1.783 | 6 | 8 | ||
1.783 | 7 | 8 | ||
1.783 | 5 | 9 | ||
1.783 | 6 | 9 | ||
1.783 | 7 | 9 | ||
1.783 | 8 | 9 | ||
1.783 | 4 | 10 | ||
1.783 | 5 | 10 | ||
1.783 | 7 | 10 | ||
1.783 | 9 | 10 | ||
1.783 | 3 | 11 | ||
1.783 | 4 | 11 | ||
1.783 | 7 | 11 | ||
1.783 | 10 | 11 | ||
1.783 | 2 | 12 | ||
1.783 | 3 | 12 | ||
1.783 | 7 | 12 | ||
1.783 | 8 | 12 | ||
1.783 | 11 | 12 |