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Computational Chemistry Comparison and Benchmark DataBase
Release 22 (May 2022) Standard Reference Database 101
National Institute of Standards and Technology
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Geometry for HSiF (fluorosilylene)
1A' CS
1910171554
InChI=1S/FHSi/c1-2/h2H INChIKey=
CCSD(T)/aug-cc-pVDZ
Point group is Cs
Atom |
Internal |
|
Principal |
x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
Si1 |
0.0640 |
-0.6204 |
0.0000 |
|
-0.6172 |
0.0901 |
0.0000 |
F2 |
0.0640 |
1.0519 |
0.0000 |
|
1.0536 |
0.0196 |
0.0000 |
H3 |
-1.4725 |
-0.7810 |
0.0000 |
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-0.8424 |
-1.4383 |
0.0000 |
Atom - Atom Distances (Å)
|
Si1 |
F2 |
H3 |
Si1 |
| 1.6723 |
1.5449 |
F2 |
1.6723 |
| 2.3917 |
H3 |
1.5449 |
2.3917 |
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Maximum atom distance is 2.3917Å
between atoms F2 and H3.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 |
atom2 |
atom3 |
angle |
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atom1 |
atom2 |
atom3 |
angle |
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 |
atom2 |
atom3 |
angle |
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atom1 |
atom2 |
atom3 |
angle |
F2 |
Si1 |
H3 |
95.965 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.