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Listing of experimental geometry data for CH2CF2 (Ethene, 1,1-difluoro-)

Rotational Constants (cm-1)


See section I.F.4 to change rotational constant units
A B C
0.36669 0.34731 0.17837
Rotational Constants from 1949Rob/Edg:742
Calculated rotational constants for CH2CF2 (Ethene, 1,1-difluoro-).

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
rCC 1.340 1 2 1987Kuchitsu(II/15)
rCF 1.315 2 5 1987Kuchitsu(II/15)
rCH 1.091 1 3 1987Kuchitsu(II/15)
aFCF 110.6 5 2 6 1987Kuchitsu(II/15)
aHCH 122 3 1 4 1987Kuchitsu(II/15)
aCCF 124.7 1 2 5 1987Kuchitsu(II/15)
aHCC 119 2 1 3 1987Kuchitsu(II/15)
picture of Ethene, 1,1-difluoro-

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=C 1
C-F 2
Atom x (Å) y (Å) z (Å)
C1 0.0000 0.0000 1.3930
C2 0.0000 0.0000 0.0530
H3 0.0000 0.9542 1.9220
H4 0.0000 -0.9542 1.9220
F5 0.0000 1.0811 -0.6956
F6 0.0000 -1.0811 -0.6956

Atom - Atom Distances (Å)
  C1 C2 H3 H4 F5 F6
C11.34001.09101.09102.35182.3518
C21.34002.09842.09841.31501.3150
H31.09102.09841.90842.62063.3157
H41.09102.09841.90843.31572.6206
F52.35181.31502.62063.31572.1622
F62.35181.31503.31572.62062.1622

Calculated geometries for CH2CF2 (Ethene, 1,1-difluoro-).
References
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squib reference DOI
1949Rob/Edg:742 Roberts, A.; Edgell, W. "The Microwave Spectrum of CF2CH2." Journal of Chemical Physics. 17, 742-743 (1949) 10.1063/1.1747384
1987Kuchitsu(II/15) Kuchitsu (ed.), Landolt-Bornstein: Group II: Atomic and Molecular Physics Volume 15: Structure Data of Free Polyatomic Molecules. Springer-Verlag, Berlin, 1987.  

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