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II.A.3. (XII.A.1.)

Listing of experimental geometry data for CH2Br2 (dibromomethane)

Rotational Constants (cm-1)
See section I.F.4 to change rotational constant units
0.86831 0.04131 0.03973
Rotational Constants from 1985Dav/Ger:269
Calculated rotational constants for CH2Br2 (dibromomethane).

Point Group C2v

Internal coordinates (distances (r) in Å) (angles (a) in degrees) (dihedrals (d) in degrees)
Description Value Connectivity Reference Comment
Atom 1 Atom 2 Atom 3 Atom 4
rCH 1.097 1 2 1998Kuc !assumed
rCBr 1.925 1 4 1998Kuc rs value
aHCH 110.9 2 1 3 1998Kuc rs value
aBrCBr 112.9 4 1 5 1998Kuc rs value
aHCBr 108.3 2 1 4 1998Kuc from aHCH and aBrCBr
picture of dibromomethane

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

Atom x (Å) y (Å) z (Å)

Atom - Atom Distances (Å)

Calculated geometries for CH2Br2 (dibromomethane).

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squib reference DOI
1985Dav/Ger:269 RW Davis, MCL Gerry "The Microwave spectrum, centrifugal distortion constants, harmonic force field, and Structure of dibromomethane" J. Mol. Spec. 109, 269-282 (1985) 10.1016/0022-2852(85)90313-3
1998Kuc K Kuchitsu(ed) "Structure of Free Polyatomic Molecules - Basic Data" Springer, Berlin, 1998  

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