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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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You are here: Home > Geometry > Calculated > Calculated geometry OR Calculated > Geometry > Calculated geometry
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Geometry for (Silicon difluoride cation)
2A1 C2V
1910171554
InChI=1S/F2Si/c1-3-2/q+1 INChIKey=WPLNUGDSAZHARN-UHFFFAOYSA-N
QCISD/6-311G*
Point group is C2v
| Atom |
Internal |
|
Principal |
| x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
| Si1 |
0.0000 |
0.0000 |
0.4383 |
|
0.4383 |
0.0000 |
0.0000 |
| F2 |
0.0000 |
1.3344 |
-0.3409 |
|
-0.3409 |
0.0000 |
1.3344 |
| F3 |
0.0000 |
-1.3344 |
-0.3409 |
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-0.3409 |
0.0000 |
-1.3344 |
Atom - Atom Distances (Å)
| |
Si1 |
F2 |
F3 |
| Si1 |
| 1.5452 |
1.5452 |
| F2 |
1.5452 |
| 2.6687 |
| F3 |
1.5452 |
2.6687 |
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Maximum atom distance is 2.6687Å
between atoms F2 and F3.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
| atom1 |
atom2 |
atom3 |
angle |
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atom1 |
atom2 |
atom3 |
angle |
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F2 |
Si1 |
F3 |
119.431 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.