Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
You are here: Calculated > Geometry > Calculated geometry > One type of bond |
MP4=FULL/cc-pVTZ
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 | 1.55 | 1.56 | 1.57 | ||||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.479 | 0.016 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SiHF3 | trifluorosilane | 1.453 |
Highest value | SiH- | silicon monohydride anion | 1.560 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SiH- | silicon monohydride anion | 1.560 | 1 | 2 |
SiH | Silylidyne | 1.525 | 1 | 2 |
SiH+ | silicon monohydride cation | 1.507 | 1 | 2 |
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 | 1.477 | 1 | 2 |
1.477 | 1 | 3 | ||
1.477 | 1 | 4 | ||
1.477 | 1 | 5 | ||
SiH2D2 | silane-d2 | 1.477 | 1 | 2 |
1.477 | 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 |
1.480 | 1 | 4 | ||
1.480 | 1 | 5 | ||
SiH3NH2 | Silane, amino | 1.486 | 1 | 3 |
1.478 | 1 | 4 | ||
1.478 | 1 | 5 | ||
Si2H6 | disilane | 1.481 | 1 | 3 |
1.481 | 1 | 4 | ||
1.481 | 1 | 5 | ||
1.481 | 2 | 6 | ||
1.481 | 2 | 7 | ||
1.481 | 2 | 8 | ||
SiH2F2 | difluorosilane | 1.466 | 1 | 4 |
1.466 | 1 | 5 | ||
SiH2Cl2 | dichlorosilane | 1.468 | 1 | 2 |
1.468 | 1 | 3 | ||
SiHF3 | trifluorosilane | 1.453 | 1 | 2 |
SiH3CCl3 | (trichloromethyl)silane | 1.474 | 1 | 3 |
1.474 | 1 | 4 | ||
1.474 | 1 | 5 |