Vibrational levels (cm-1)
Mode Number |
Symmetry |
Frequency |
Intensity |
Comment |
Description |
Fundamental(cm-1) |
Harmonic(cm-1) |
Reference |
(km mol-1) |
unc. |
Reference |
1 |
Σ |
|
580 |
2001Bre/Ziu:249 |
|
|
|
estimate |
|
Detailed diatomic data
ωe |
ωexe |
ωeye |
Be |
αe |
ZPE
| reference |
580 |
|
|
0.6340409 |
6.790568E-03 |
|
2001Bre/Ziu:249 |
vibrational zero-point energy: cm
-1 (from fundamental vibrations)
Calculated vibrational frequencies for
LiS (Lithium monosulfide).
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 |
rLiS |
2.150 |
|
1 |
2 |
|
|
2001Bre/Ziu:249 |
|
Cartesians
Atom |
x (Å) |
y (Å) |
z (Å) |
Li1 |
0.0000 |
0.0000 |
0.0000 |
S2 |
0.0000 |
0.0000 |
2.1497 |
Atom - Atom Distances
Distances in Å
|
Li1 |
S2 |
Li1 |
|
2.1497 |
S2 |
2.1497 |
|
Calculated geometries
for LiS (Lithium monosulfide).
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)
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