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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 HFCO (formyl fluoride)
1A' CS
1910171554
InChI=1S/CHFO/c2-1-3/h1H INChIKey=NHGVZTMBVDFPHJ-UHFFFAOYSA-N
HF/CEP-121G*
Point group is Cs
| Atom |
Internal |
|
Principal |
| x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
| C1 |
0.0000 |
0.3927 |
0.0000 |
|
-0.1300 |
-0.3705 |
0.0000 |
| O2 |
1.1347 |
0.1132 |
0.0000 |
|
-1.1082 |
0.2688 |
0.0000 |
| F3 |
-0.9605 |
-0.5166 |
0.0000 |
|
1.0773 |
0.1695 |
0.0000 |
| H4 |
-0.4332 |
1.3876 |
0.0000 |
|
-0.0507 |
-1.4528 |
0.0000 |
Atom - Atom Distances (Å)
| |
C1 |
O2 |
F3 |
H4 |
| C1 |
|
1.1686 |
1.3226 |
1.0852 |
| O2 |
1.1686 |
| 2.1877 |
2.0204 |
| F3 |
1.3226 |
2.1877 |
| 1.9759 |
| H4 |
1.0852 |
2.0204 |
1.9759 |
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Maximum atom distance is 2.1877Å
between atoms O2 and F3.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
| atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
|
O2 |
C1 |
F3 |
122.734 |
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Calculated Bond Angles (degrees) (Involving Hydrogens)
| atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
|
O2 |
C1 |
H4 |
127.360 |
|
F3 |
C1 |
H4 |
109.907 |
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.