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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 HCF (Fluoromethylene)
1A' CS
1910171554
InChI=1S/CHF/c1-2/h1H INChIKey=YUCFVHQCAFKDQG-UHFFFAOYSA-N
mPW1PW91/6-31G*
Point group is Cs
| Atom |
Internal |
|
Principal |
| x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
| H1 |
-1.0367 |
0.9513 |
0.0000 |
|
1.0407 |
-0.9470 |
0.0000 |
| C2 |
0.0691 |
0.7217 |
0.0000 |
|
0.7126 |
0.1337 |
0.0000 |
| F3 |
0.0691 |
-0.5869 |
0.0000 |
|
-0.5907 |
0.0161 |
0.0000 |
Atom - Atom Distances (Å)
| |
H1 |
C2 |
F3 |
| H1 |
|
1.1294 |
1.8944 |
| C2 |
1.1294 |
|
1.3086 |
| F3 |
1.8944 |
1.3086 |
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Maximum atom distance is 1.8944Å
between atoms H1 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.