Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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MP3/TZVP
35 | |||||||||||||||||||||||||||||||
30 | |||||||||||||||||||||||||||||||
25 | |||||||||||||||||||||||||||||||
20 | |||||||||||||||||||||||||||||||
15 | |||||||||||||||||||||||||||||||
10 | |||||||||||||||||||||||||||||||
5 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.45 | 1.46 | 1.47 | 1.48 | 1.49 | 1.50 | 1.51 | 1.52 | 1.53 | 1.54 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.479 | 0.012 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SiHF3 | trifluorosilane | 1.452 |
Highest value | SiH | Silylidyne | 1.524 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SiH | Silylidyne | 1.524 | 1 | 2 |
SiH+ | silicon monohydride cation | 1.505 | 1 | 2 |
SiH2 | silicon dihydride | 1.517 | 1 | 2 |
1.517 | 1 | 3 | ||
SiH3 | Silyl radical | 1.479 | 1 | 2 |
1.479 | 1 | 3 | ||
1.479 | 1 | 4 | ||
SiH3+ | Silyl cation | 1.463 | 1 | 2 |
1.463 | 1 | 3 | ||
1.463 | 1 | 4 | ||
SiH4 | Silane | 1.479 | 1 | 2 |
1.479 | 1 | 3 | ||
1.479 | 1 | 4 | ||
1.479 | 1 | 5 | ||
SiH2D2 | silane-d2 | 1.479 | 1 | 2 |
1.479 | 1 | 3 | ||
SiH3Cl | chlorosilane | 1.473 | 1 | 3 |
1.473 | 1 | 4 | ||
1.473 | 1 | 5 | ||
SiH3Br | bromosilane | 1.473 | 1 | 3 |
1.473 | 1 | 4 | ||
1.473 | 1 | 5 | ||
Si2H4 | Disilene | 1.477 | 1 | 3 |
1.477 | 1 | 4 | ||
1.477 | 2 | 5 | ||
1.477 | 2 | 6 | ||
SiH3OH | silanol | 1.473 | 1 | 3 |
1.481 | 1 | 4 | ||
1.481 | 1 | 5 | ||
SiH3NH2 | Silane, amino | 1.487 | 1 | 3 |
1.479 | 1 | 4 | ||
1.479 | 1 | 5 | ||
Si2H6 | disilane | 1.482 | 1 | 3 |
1.482 | 1 | 4 | ||
1.482 | 1 | 5 | ||
1.482 | 2 | 6 | ||
1.482 | 2 | 7 | ||
1.482 | 2 | 8 | ||
SiH2F2 | difluorosilane | 1.464 | 1 | 4 |
1.464 | 1 | 5 | ||
SiH2Cl2 | dichlorosilane | 1.466 | 1 | 2 |
1.466 | 1 | 3 | ||
SiHF3 | trifluorosilane | 1.452 | 1 | 2 |
N(SiH3)3 | trisilylamine | 1.481 | 2 | 5 |
1.481 | 2 | 8 | ||
1.481 | 2 | 9 | ||
1.481 | 3 | 6 | ||
1.481 | 3 | 10 | ||
1.481 | 3 | 11 | ||
1.481 | 4 | 7 | ||
1.481 | 4 | 12 | ||
1.481 | 4 | 13 | ||
SiH3CCl3 | (trichloromethyl)silane | 1.474 | 1 | 3 |
1.474 | 1 | 4 | ||
1.474 | 1 | 5 |