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 |
720 |
728 |
1997Mar/Sea:413 |
|
|
|
|
|
Detailed diatomic data
ωe |
ωexe |
ωeye |
Be |
αe |
ZPE
| reference |
727.9894 |
3.9518 |
0.00904 |
0.491221 |
4.15328E-03 |
|
1997Mar/Sea:413 |
vibrational zero-point energy: 360.1 cm
-1 (from fundamental vibrations)
Calculated vibrational frequencies for
CBr (Carbon monobromide).
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 |
rCBr |
1.821 |
0.001 |
1 |
2 |
|
|
1963Dix/Kro:1484 |
|
Cartesians
Atom |
x (Å) |
y (Å) |
z (Å) |
C1 |
0.0000 |
0.0000 |
0.0000 |
Br2 |
0.0000 |
0.0000 |
1.8210 |
Atom - Atom Distances
Distances in Å
|
C1 |
Br2 |
C1 |
|
1.8210 |
Br2 |
1.8210 |
|
Calculated geometries
for CBr (Carbon monobromide).
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 |
2Π |
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
CBr (Carbon monobromide).
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 |
2Π |
C∞v |
True |
|
|
|
|
|
C∞v |
1 |
1 |
Calculated electric quadrupole moments for
CBr (Carbon monobromide).