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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/6-311G**
Point group is Cs
| Atom |
Internal |
|
Principal |
| x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
| Si1 |
0.0630 |
-0.6005 |
0.0000 |
|
-0.6028 |
0.0345 |
0.0000 |
| F2 |
0.0630 |
1.0219 |
0.0000 |
|
1.0177 |
0.1114 |
0.0000 |
| H3 |
-1.4499 |
-0.7895 |
0.0000 |
|
-0.7199 |
-1.4857 |
0.0000 |
Atom - Atom Distances (Å)
| |
Si1 |
F2 |
H3 |
| Si1 |
| 1.6224 |
1.5247 |
| F2 |
1.6224 |
| 2.3600 |
| H3 |
1.5247 |
2.3600 |
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Maximum atom distance is 2.3600Å
between atoms F2 and H3.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
| atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
Calculated Bond Angles (degrees) (Involving Hydrogens)
| atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
|
F2 |
Si1 |
H3 |
97.118 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.