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 |
2269 |
2367 |
2007Iri:389 |
|
|
|
|
|
Detailed diatomic data
ωe |
ωexe |
ωeye |
Be |
αe |
ZPE
| reference |
2366.729 |
49.33983 |
0.36227 |
12.02575 |
0.421565 |
1172.635 |
2007Iri:389 |
vibrational zero-point energy: 1134.6 cm
-1 (from fundamental vibrations)
Calculated vibrational frequencies for
BH (Boron monohydride).
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 |
rBH |
1.232 |
|
1 |
2 |
|
|
1979HUB/HER |
re |
Cartesians
Atom |
x (Å) |
y (Å) |
z (Å) |
B1 |
0.0000 |
0.0000 |
0.0000 |
H2 |
0.0000 |
0.0000 |
1.2324 |
Atom - Atom Distances
Distances in Å
|
B1 |
H2 |
B1 |
|
1.2324 |
H2 |
1.2324 |
|
Calculated geometries
for BH (Boron monohydride).
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 |
9.770 |
0.050 |
|
|
webbook |
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