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=FULL/Def2TZVPP
25 | |||||||||||||||||||||||||||||||
20 | |||||||||||||||||||||||||||||||
15 | |||||||||||||||||||||||||||||||
10 | |||||||||||||||||||||||||||||||
5 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.44 | 1.45 | 1.45 | 1.46 | 1.46 | 1.47 | 1.47 | 1.48 | 1.48 | 1.49 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.471 | 0.007 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SiHF3 | trifluorosilane | 1.447 |
Highest value | SiH3NH2 | Silane, amino | 1.480 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SiH3+ | Silyl cation | 1.458 | 1 | 2 |
1.458 | 1 | 3 | ||
1.458 | 1 | 4 | ||
SiH2D2 | silane-d2 | 1.473 | 1 | 2 |
1.473 | 1 | 3 | ||
SiH3Cl | chlorosilane | 1.468 | 1 | 3 |
1.468 | 1 | 4 | ||
1.468 | 1 | 5 | ||
Si2H4 | Disilene | 1.471 | 1 | 3 |
1.471 | 1 | 4 | ||
1.471 | 2 | 5 | ||
1.471 | 2 | 6 | ||
SiH3OH | silanol | 1.468 | 1 | 3 |
1.475 | 1 | 4 | ||
1.475 | 1 | 5 | ||
SiH3NH2 | Silane, amino | 1.480 | 1 | 3 |
1.473 | 1 | 4 | ||
1.473 | 1 | 5 | ||
Si2H6 | disilane | 1.476 | 1 | 3 |
1.476 | 1 | 4 | ||
1.476 | 1 | 5 | ||
1.476 | 2 | 6 | ||
1.476 | 2 | 7 | ||
1.476 | 2 | 8 | ||
SiH2F2 | difluorosilane | 1.460 | 1 | 4 |
1.460 | 1 | 5 | ||
SiHF3 | trifluorosilane | 1.447 | 1 | 2 |
N(SiH3)3 | trisilylamine | 1.476 | 2 | 5 |
1.474 | 2 | 8 | ||
1.474 | 2 | 9 | ||
1.476 | 3 | 6 | ||
1.474 | 3 | 10 | ||
1.474 | 3 | 11 | ||
1.476 | 4 | 7 | ||
1.474 | 4 | 12 | ||
1.474 | 4 | 13 |