Geometric Data
Point Group D∞h
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 |
rHH |
0.741 |
|
1 |
2 |
|
|
1979HUB/HER |
re |
Cartesians
Atom |
x (Å) |
y (Å) |
z (Å) |
H1 |
0.0000 |
0.0000 |
0.0000 |
H2 |
0.0000 |
0.0000 |
0.7414 |
Atom - Atom Distances
Distances in Å
|
H1 |
H2 |
H1 |
|
0.7414 |
H2 |
0.7414 |
|
Calculated geometries
for H
2 (Hydrogen diatomic).
Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Connectivity
Electronic energy levels (cm-1)
Ionization Energies (eV)
Ionization Energy |
I.E. unc. |
vertical I.E. |
v.I.E. unc. |
reference |
15.426 |
0.000 |
|
|
webbook |
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