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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 (Silicon trifluoride radical)
2A1 C3V
1910171554
InChI=1S/F3Si/c1-4(2)3 INChIKey=ATVLVRVBCRICNU-UHFFFAOYSA-N
MP2=FULL/cc-pCVTZ
Point group is C3v
| Atom |
Internal |
|
Principal |
| x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
| Si1 |
0.0000 |
0.0000 |
0.3694 |
|
0.0000 |
0.0000 |
0.3694 |
| F2 |
0.0000 |
1.4770 |
-0.1915 |
|
-0.2642 |
1.4531 |
-0.1915 |
| F3 |
1.2791 |
-0.7385 |
-0.1915 |
|
1.3906 |
-0.4978 |
-0.1915 |
| F4 |
-1.2791 |
-0.7385 |
-0.1915 |
|
-1.1263 |
-0.9554 |
-0.1915 |
Atom - Atom Distances (Å)
| |
Si1 |
F2 |
F3 |
F4 |
| Si1 |
| 1.5799 |
1.5799 |
1.5799 |
| F2 |
1.5799 |
| 2.5582 |
2.5582 |
| F3 |
1.5799 |
2.5582 |
| 2.5582 |
| F4 |
1.5799 |
2.5582 |
2.5582 |
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Maximum atom distance is 2.5582Å
between atoms F3 and F4.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
| atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
|
F2 |
Si1 |
F3 |
108.113 |
|
F2 |
Si1 |
F4 |
108.113 |
|
F3 |
Si1 |
F4 |
108.113 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.