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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 CH2F (fluoromethyl radical)
2A CS
1910171554
InChI=1S/CH2F/c1-2/h1H2 INChIKey=VUWZPRWSIVNGKG-UHFFFAOYSA-N
HF/6-31G**
Point group is Cs
Atom |
Internal |
|
Principal |
x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
C1 |
0.0337 |
0.6530 |
0.0000 |
|
0.6510 |
0.0000 |
0.0616 |
F2 |
0.0337 |
-0.6780 |
0.0000 |
|
-0.6788 |
0.0000 |
0.0047 |
H3 |
-0.2527 |
1.0917 |
0.9376 |
|
1.1015 |
0.9376 |
-0.2057 |
H4 |
-0.2527 |
1.0917 |
-0.9376 |
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1.1015 |
-0.9376 |
-0.2057 |
Atom - Atom Distances (Å)
|
C1 |
F2 |
H3 |
H4 |
C1 |
|
1.3310 |
1.0740 |
1.0740 |
F2 |
1.3310 |
| 2.0230 |
2.0230 |
H3 |
1.0740 |
2.0230 |
| 1.8751 |
H4 |
1.0740 |
2.0230 |
1.8751 |
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Maximum atom distance is 2.0230Å
between atoms F2 and H3.
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 |
F2 |
C1 |
H3 |
114.105 |
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F2 |
C1 |
H4 |
114.105 |
H3 |
C1 |
H4 |
121.616 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.