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Listing of experimental geometry data for CH2Br2 (dibromomethane)

Rotational Constants (cm-1)


See section I.F.4 to change rotational constant units
A B C
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 1.079 1 2 1971Cha/Mil:1539-1550 !assumed
rCBr 1.925 1 4 1971Cha/Mil:1539-1550 rs value
aHCH 110.9 2 1 3 1971Cha/Mil:1539-1550 rs value
aBrCBr 112.9 4 1 5 1971Cha/Mil:1539-1550 rs value
aHCBr 108.3 2 1 4 1971Cha/Mil:1539-1550 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)
C1 0.0000 0.0000 0.9391
H2 -0.8887 0.0000 1.5510
H3 0.8887 0.0000 1.5510
Br4 0.0000 1.6043 -0.1248
Br5 0.0000 -1.6043 -0.1248

Atom - Atom Distances (Å)
  C1 H2 H3 Br4 Br5
C11.07901.07901.92501.9250
H21.07901.77742.48432.4843
H31.07901.77742.48432.4843
Br41.92502.48432.48433.2086
Br51.92502.48432.48433.2086

Calculated geometries for CH2Br2 (dibromomethane).
References
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squib reference DOI
1971Cha/Mil:1539-1550 D Chadwick DJ Millen "Microwave spectrum of dibromomethane. Part 1.—Molecular structure" Trans. Faraday Soc. , 1971, 67, 1539-1550 10.1039/TF9716701539
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

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