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Experimental data for CBr2F2 (Methane, dibromodifluoro-)

22 02 02 11 45
Other names
Dibromodifluoromethane; Difluorodibromomethane;
InChI=1S/CBr2F2/c2-1(3,4)5 AZSZCFSOHXEJQE-UHFFFAOYSA-N FC(Br)(Br)F Dibromodifluoromethane
State Conformation
1A' C2V
Enthalpy of formation (Hfg), Entropy, Integrated heat capacity (0 K to 298.15 K) (HH), Heat Capacity (Cp)
Property Value Uncertainty units Reference Comment
Information can also be found for this species in the NIST Chemistry Webbook
Vibrational levels (cm-1) vibrations
Mode Number Symmetry Frequency Intensity Comment Description
Fundamental(cm-1) Harmonic(cm-1) Reference (km mol-1) unc. Reference
1 A1 1090   webbook       CF2 s-str
2 A1 623   webbook       CF2 sciss
3 A1 340   webbook       CBr2 s-str
4 A1 168   webbook       CBr2 sciss
5 A2 281   webbook       CF2 twist
6 B1 1153   webbook       CF2 a-str
7 B1 369   webbook       CF2 rock
8 B2 831   webbook       CBr2 a-str
9 B2 325   webbook       CF2 wag

vibrational zero-point energy: 2590.0 cm-1 (from fundamental vibrations)
Calculated vibrational frequencies for CBr2F2 (Methane, dibromodifluoro-).
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment

Calculated rotational constants for CBr2F2 (Methane, dibromodifluoro-).
Product of moments of inertia moments of inertia
amu3Å6   0gm3 cm6
Geometric Data
picture of Methane, dibromodifluoro-

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

Atom x (Å) y (Å) z (Å)

Atom - Atom Distances bond lengths
Distances in Å

Calculated geometries for CBr2F2 (Methane, dibromodifluoro-).

Bond descriptions

Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
C-Br 2
C-F 2

Atom 1 Atom 2
C1 Br2
C1 Br3
C1 F4
C1 F5
Electronic energy levels (cm-1)
Energy (cm-1) Degeneracy reference description
0 1   1A'

Ionization Energies (eV)
Ionization Energy I.E. unc. vertical I.E. v.I.E. unc. reference
11.030 0.040     webbook
Dipole, Quadrupole and Polarizability
Electric dipole moment dipole
State Config State description Conf description Exp. min. Dipole (Debye) Reference comment Point Group Components
x y z total dipole quadrupole
1 1 1A' C2v True       0.660 NSRDS-NBS10 DT 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 CBr2F2 (Methane, dibromodifluoro-).
Electric quadrupole moment quadrupole
State Config State description Conf description Exp. min. Quadrupole (D Å) Reference comment Point Group Components
xx yy zz dipole quadrupole
1 1 1A' C2v True       C2v 1 2

Calculated electric quadrupole moments for CBr2F2 (Methane, dibromodifluoro-).

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squib reference DOI
NSRDS-NBS10 R. D. Nelson Jr., D. R. Lide, A. A. Maryott "Selected Values of electric dipole moments for molecules in the gas phase" NSRDS-NBS10, 1967 10.6028/NBS.NSRDS.10
webbook NIST Chemistry Webbook ( 10.18434/T4D303

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