Geometric Data
Point Group C∞v
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 |
| rHHe |
0.790 |
|
1 |
2 |
|
|
2014Per/Hod:101101 |
from B0 |
Cartesians
| Atom |
x (Å) |
y (Å) |
z (Å) |
| He1 |
0.0000 |
0.0000 |
0.0000 |
| H2 |
0.0000 |
0.0000 |
0.7899 |
Atom - Atom Distances
Distances in Å
| |
He1 |
H2 |
| He1 |
|
0.7899 |
| H2 |
0.7899 |
|
Calculated geometries
for HeH (Helium hydride).
Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Connectivity
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 |
1Σ |
C∞v |
True |
|
|
|
|
|
|
C∞v |
1 |
1 |
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
HeH (Helium hydride).
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 |
1Σ |
C∞v |
True |
|
|
|
|
|
C∞v |
1 |
1 |
Calculated electric quadrupole moments for
HeH (Helium hydride).