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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=
B2PLYP/6-31+G**
Point group is Cs
Atom |
Internal |
|
Principal |
x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
Si1 |
0.0634 |
-0.6109 |
0.0000 |
|
-0.6132 |
0.0344 |
0.0000 |
F2 |
0.0634 |
1.0361 |
0.0000 |
|
1.0319 |
0.1124 |
0.0000 |
H3 |
-1.4575 |
-0.7716 |
0.0000 |
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-0.7017 |
-1.4924 |
0.0000 |
Atom - Atom Distances (Å)
|
Si1 |
F2 |
H3 |
Si1 |
| 1.6470 |
1.5293 |
F2 |
1.6470 |
| 2.3624 |
H3 |
1.5293 |
2.3624 |
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Maximum atom distance is 2.3624Å
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 |
|
atom1 |
atom2 |
atom3 |
angle |
F2 |
Si1 |
H3 |
96.030 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.