Geometric Data
Point Group Cs
Internal coordinates
distances (r) in Å, angles (a) in degrees, dihedrals (d) in degrees
| Description |
Value |
unc. |
Connectivity |
Reference |
Comment |
| Atom 1 |
Atom 2 |
Atom 3 |
Atom 4 |
| rFF |
2.780 |
|
2 |
4 |
|
|
1998Kuc |
r0 value |
| aHFF |
117 |
|
3 |
2 |
4 |
|
1998Kuc |
|
| aHFF |
10 |
|
1 |
4 |
2 |
|
1998Kuc |
|
Cartesians
Atom - Atom Distances
Distances in Å
Calculated geometries
for H
2F
2 (Hydrogen fluoride dimer).
Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
| Bond Type |
Count |
| H-F |
2 |
| H..F |
1 |
Connectivity
| Atom 1 |
Atom 2 |
| H1 |
F2 |
| H1 |
F4 |
| F2 |
H3 |
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 |
1Ag |
Cs |
True |
|
|
|
|
|
|
Cs |
2 |
3 |
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
H
2F
2 (Hydrogen fluoride dimer).
Electric quadrupole moment
| State |
Config |
State description |
Conf description |
Exp. min. |
Quadrupole (D Å) |
Reference |
comment |
Point Group |
Components |
| xx |
yy |
zz |
dipole |
quadrupole |
| 1 |
1 |
1Ag |
Cs |
True |
|
|
|
|
|
Cs |
2 |
3 |
Calculated electric quadrupole moments for
H
2F
2 (Hydrogen fluoride dimer).