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 |
0.6619 |
0.6428 |
C2 |
0.0000 |
-0.6619 |
0.6428 |
F3 |
0.0000 |
1.3714 |
-0.4880 |
F4 |
0.0000 |
-1.3714 |
-0.4880 |
H5 |
0.0000 |
1.2691 |
1.5465 |
H6 |
0.0000 |
-1.2691 |
-1.5465 |
Atom - Atom Distances
Distances in Å
|
C1 |
C2 |
F3 |
F4 |
H5 |
H6 |
C1 |
|
1.3238 | 1.3350 | 2.3266 | 1.0887 | 2.9192 |
C2 |
1.3238 |
|
2.3266 | 1.3350 | 2.1320 | 2.2719 |
F3 |
1.3350 | 2.3266 |
|
2.7428 | 2.0371 | 2.8448 |
F4 |
2.3266 | 1.3350 | 2.7428 |
|
3.3334 | 1.0634 |
H5 |
1.0887 | 2.1320 | 2.0371 | 3.3334 |
|
4.0011 |
H6 |
2.9192 | 2.2719 | 2.8448 | 1.0634 | 4.0011 |
|
Calculated geometries
for C
2H
2F
2 (Ethene, 1,2-difluoro-, (Z)-).
Experimental Bond Angles (degrees) from cartesians
atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
C1 |
C2 |
F4 |
122.105 |
|
C1 |
C2 |
H6 |
105.501 |
C2 |
C1 |
F3 |
122.105 |
|
C2 |
C1 |
H5 |
123.897 |
F3 |
C1 |
H5 |
113.997 |
|
F4 |
C2 |
H6 |
16.604 |
Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type |
Count |
C=C |
1 |
C-F |
2 |
H-C |
2 |
Connectivity
Atom 1 |
Atom 2 |
C1 |
C2 |
C1 |
F3 |
C1 |
H5 |
C2 |
F4 |
C2 |
H6 |
Dipole, Quadrupole and Polarizability
Electric dipole moment
State |
Config |
State description |
Conf description |
Exp. min. |
Dipole (Debye) |
Reference |
comment |
Point Group |
Components |
x |
y |
z |
total |
dipole |
quadrupole |
1 |
1 |
1A1 |
C2v |
True |
|
|
|
2.420 |
1961Lau:291 |
microwave |
C2v |
1 |
2 |
Experimental dipole measurement abbreviations: MW microwave; DT Dielectric with Temperature variation; DR Indirect (usually an upper limit); MB Molecular beam
Calculated electric dipole moments for
C
2H
2F
2 (Ethene, 1,2-difluoro-, (Z)-).
Electric quadrupole moment
State |
Config |
State description |
Conf description |
Exp. min. |
Quadrupole (D Å) |
Reference |
comment |
Point Group |
Components |
xx |
yy |
zz |
dipole |
quadrupole |
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