Geometric Data
Point Group C2v
Internal coordinates
distances (r) in Å, angles (a) in degrees, dihedrals (d) in degrees
Cartesians
Atom |
x (Å) |
y (Å) |
z (Å) |
C1 |
0.0000 |
0.0000 |
0.5932 |
F2 |
0.0000 |
1.0282 |
-0.1977 |
F3 |
0.0000 |
-1.0282 |
-0.1977 |
Atom - Atom Distances
Distances in Å
|
C1 |
F2 |
F3 |
C1 |
|
1.2972 | 1.2972 |
F2 |
1.2972 |
|
2.0563 |
F3 |
1.2972 | 2.0563 |
|
Calculated geometries
for CF
2 (Difluoromethylene).
Experimental Bond Angles (degrees) from cartesians
atom1 |
atom2 |
atom3 |
angle |
F2 |
C1 |
F3 |
104.858 |
|
F2 |
C1 |
F3 |
104.858 |
Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Connectivity
Atom 1 |
Atom 2 |
C1 |
F2 |
C1 |
F3 |
Electronic energy levels (cm-1)
Ionization Energies (eV)
Ionization Energy |
I.E. unc. |
vertical I.E. |
v.I.E. unc. |
reference |
11.440 |
0.030 |
|
|
webbook |
Electron Affinity (eV)
Electron Affinity |
unc. |
reference |
0.179 |
0.005 |
webbook |
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