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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
PBEPBEultrafine/aug-cc-pVTZ
Point group is Cs
| Atom |
Internal |
|
Principal |
| x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
| C1 |
0.0227 |
0.6592 |
0.0000 |
|
0.0007 |
0.0227 |
0.6592 |
| F2 |
0.0227 |
-0.6882 |
0.0000 |
|
0.0007 |
0.0227 |
-0.6882 |
| H3 |
-0.1704 |
1.1194 |
0.9669 |
|
0.9612 |
-0.1999 |
1.1194 |
| H4 |
-0.1704 |
1.1194 |
-0.9669 |
|
-0.9716 |
-0.1408 |
1.1194 |
Atom - Atom Distances (Å)
| |
C1 |
F2 |
H3 |
H4 |
| C1 |
|
1.3474 |
1.0881 |
1.0881 |
| F2 |
1.3474 |
| 2.0590 |
2.0590 |
| H3 |
1.0881 |
2.0590 |
| 1.9338 |
| H4 |
1.0881 |
2.0590 |
1.9338 |
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Maximum atom distance is 2.0590Å
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 |
115.021 |
|
F2 |
C1 |
H4 |
115.021 |
|
H3 |
C1 |
H4 |
125.396 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.