Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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A | B | C |
---|---|---|
2.84470 | 0.22261 | 0.22261 |
Description | Value | Connectivity | Reference | Comment | |||
---|---|---|---|---|---|---|---|
Atom 1 | Atom 2 | Atom 3 | Atom 4 | ||||
rSiH | 1.475 | 1 | 3 | 1998Kuc | r0 value | ||
rSiCl | 2.051 | 1 | 2 | 1998Kuc | r0 value | ||
aHSiCl | 108.295 | 2 | 1 | 3 | 1998Kuc | a0 value | |
aHSiH | 110.62 | 3 | 1 | 4 | 1998Kuc | from symmetry |
Bond Type | Count |
---|---|
H-Si | 3 |
Si-Cl | 1 |
Atom | x (Å) | y (Å) | z (Å) |
---|---|---|---|
Si1 | 0.0000 | 0.0000 | -0.9844 |
Cl2 | 0.0000 | 0.0000 | 1.0661 |
H3 | 0.0000 | 1.4004 | -1.4474 |
H4 | 1.2128 | -0.7002 | -1.4474 |
H5 | -1.2128 | -0.7002 | -1.4474 |
Si1 | Cl2 | H3 | H4 | H5 | |
---|---|---|---|---|---|
Si1 | 2.0506 | 1.4750 | 1.4750 | 1.4750 | |
Cl2 | 2.0506 | 2.8774 | 2.8774 | 2.8774 | |
H3 | 1.4750 | 2.8774 | 2.4256 | 2.4256 | |
H4 | 1.4750 | 2.8774 | 2.4256 | 2.4256 | |
H5 | 1.4750 | 2.8774 | 2.4256 | 2.4256 |
squib | reference | DOI |
---|---|---|
1984Bur/Sch:349 | H Burger, G Schippel, A Ruoff, H Essig, S Cradock "VIBRATIONAL-SPECTRA AND FORCE-CONSTANTS OF SYMMETRIC TOPS - ROVIBRATIONAL ANALYSIS OF 2-NU-6 AND 2-NU-6-NU-6 OF (H3SICL)-CL-35 AND (H3SICL)-CL-37, AND A NEW METHOD FOR THE DETERMINATION OF AO AND DKO" J. Mol. Spect. 106(2) 349-361, 1984 | 10.1016/0022-2852(84)90165-6 |
1998Kuc | K Kuchitsu(ed) "Structure of Free Polyatomic Molecules - Basic Data" Springer, Berlin, 1998 | 10.1007/978-3-642-45748-7 |
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