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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 SiF3 (Silicon trifluoride radical)
2A1 C3V
1910171554
InChI=1S/F3Si/c1-4(2)3 INChIKey=ATVLVRVBCRICNU-UHFFFAOYSA-N
PBEPBE/6-31G**
Point group is C3v
Atom |
Internal |
|
Principal |
x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
Si1 |
0.0000 |
0.0000 |
0.3776 |
|
0.0000 |
0.0000 |
0.3776 |
F2 |
0.0000 |
1.5078 |
-0.1958 |
|
1.5078 |
0.0000 |
-0.1958 |
F3 |
1.3058 |
-0.7539 |
-0.1958 |
|
-0.7539 |
1.3058 |
-0.1958 |
F4 |
-1.3058 |
-0.7539 |
-0.1958 |
|
-0.7539 |
-1.3058 |
-0.1958 |
Atom - Atom Distances (Å)
|
Si1 |
F2 |
F3 |
F4 |
Si1 |
| 1.6131 |
1.6131 |
1.6131 |
F2 |
1.6131 |
| 2.6116 |
2.6116 |
F3 |
1.6131 |
2.6116 |
| 2.6116 |
F4 |
1.6131 |
2.6116 |
2.6116 |
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Maximum atom distance is 2.6116Å
between atoms F2 and F3.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
F2 |
Si1 |
F3 |
108.091 |
|
F2 |
Si1 |
F4 |
108.091 |
F3 |
Si1 |
F4 |
108.091 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.