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

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 1.315 1 2 1974sve/kov
rCF 1.323 2 5 1974sve/kov
rCH 1.078 1 3 1974sve/kov
aFCF 109.1 5 2 6 1974sve/kov
aHCH 121.8 3 1 4 1974sve/kov
aCCF 125.5 1 2 5 1974sve/kov by symmetry
aHCC 119.1 2 1 3 1974sve/kov by symmetry
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 1.3851
C2 0.0000 0.0000 0.0701
H3 0.0000 0.9419 1.9094
H4 0.0000 -0.9419 1.9094
F5 0.0000 1.0777 -0.6972
F6 0.0000 -1.0777 -0.6972

Atom - Atom Distances (Å)
  C1 C2 H3 H4 F5 F6
C11.31501.07801.07802.34472.3447
C21.31502.06642.06641.32301.3230
H31.07802.06641.88392.61013.2975
H41.07802.06641.88393.29752.6101
F52.34471.32302.61013.29752.1555
F62.34471.32303.29752.61012.1555

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
1974sve/kov L.M. Sverdlov, M. A. Kovner, E. P. Krainov, "Vibrational Spectra of Polyatomic Molecules" Wiley, New York 1974  

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