Vibrational levels (cm-1)
Mode Number |
Symmetry |
Frequency |
Intensity |
Comment |
Description |
Fundamental(cm-1) |
Harmonic(cm-1) |
Reference |
(km mol-1) |
unc. |
Reference |
1 |
A1 |
733 |
|
webbook |
|
|
|
|
CCl2 s-str |
2 |
A1 |
380 |
|
|
|
|
|
|
CBr2 s-str |
3 |
A1 |
242 |
|
|
|
|
|
|
CCl2 scissors |
4 |
A1 |
154 |
|
|
|
|
|
|
CBr2 sciss |
5 |
A2 |
175 |
|
|
|
|
|
|
CCl2 twist |
6 |
B1 |
683 |
|
|
|
|
|
|
CBr2 a-str |
7 |
B1 |
229 |
|
|
|
|
|
|
CCl2 wag |
8 |
B2 |
768 |
|
|
|
|
|
|
CCl2 a-str |
9 |
B2 |
262 |
|
|
|
|
|
|
CCl2 rock |
vibrational zero-point energy: 1813.0 cm
-1 (from fundamental vibrations)
Calculated vibrational frequencies for
CBr
2Cl
2 (dibromodichloromethane).
Geometric Data
Point Group C2v
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 |
Cartesians
Atom - Atom Distances
Distances in Å
Calculated geometries
for CBr
2Cl
2 (dibromodichloromethane).
Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type |
Count |
C-Cl |
2 |
C-Br |
2 |
Connectivity
Atom 1 |
Atom 2 |
C1 |
Cl2 |
C1 |
Cl3 |
C1 |
Br4 |
C1 |
Br5 |
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 |
1A1 |
C2v |
True |
|
|
|
|
|
|
C2v |
1 |
2 |
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
2Cl
2 (dibromodichloromethane).
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 |
1A1 |
C2v |
True |
|
|
|
|
|
C2v |
1 |
2 |
Calculated electric quadrupole moments for
CBr
2Cl
2 (dibromodichloromethane).