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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 (formyl fluoride)
1A' CS
1910171554
InChI=1S/CHFO/c2-1-3/h1H INChIKey=NHGVZTMBVDFPHJ-UHFFFAOYSA-N
B3LYPultrafine_cp/6-31G*
Point group is Cs
| Atom |
Internal |
| x (Å) |
y (Å) |
z (Å) |
| C1 |
0.0000 |
0.3963 |
0.0000 |
| O2 |
1.1545 |
0.1245 |
0.0000 |
| F3 |
-0.9762 |
-0.5302 |
0.0000 |
| H4 |
-0.4499 |
1.3974 |
0.0000 |
Atom - Atom Distances (Å)
| |
C1 |
O2 |
F3 |
H4 |
| C1 |
|
1.1861 |
1.3459 |
1.0975 |
| O2 |
1.1861 |
| 2.2290 |
2.0480 |
| F3 |
1.3459 |
2.2290 |
| 1.9982 |
| H4 |
1.0975 |
2.0480 |
1.9982 |
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Maximum atom distance is 2.2290Å
between atoms O2 and F3.
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 |
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.