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

Listing of experimental geometry data for CH2CHF (Ethene, fluoro-)

Rotational Constants (cm-1)
See section I.F.4 to change rotational constant units
A B C
2.15431 0.35481 0.30415
Rotational Constants from 1989Hay/Ina:135
Calculated rotational constants for CH2CHF (Ethene, fluoro-).

Point Group Cs

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 1.329 1 2 1976Hellwege(II/7)
rCF 1.347 1 3 1976Hellwege(II/7)
rCH 1.082 1 4 1976Hellwege(II/7) same C as F
rCH 1.087 2 6 1976Hellwege(II/7)
rCH 1.077 2 5 1976Hellwege(II/7) opp C, opp side as F
aCCF 120.8 2 1 3 1976Hellwege(II/7)
aHCF 110 3 1 4 1976Hellwege(II/7)
aHCC 120.9 1 2 6 1976Hellwege(II/7) H from cis to F
aHCC 119 1 2 5 1976Hellwege(II/7) H trans to F
aHCC 129.2 2 1 4 1976Hellwege(II/7) from symmetry
aHCH 120.1 5 2 6 1976Hellwege(II/7) from symmetry
picture of Ethene, fluoro-

Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
H-C 3
C=C 1
C-F 1

Atom x (Å) y (Å) z (Å)
C1 0.0000 0.4476 0.0000
C2 1.1877 -0.1487 0.0000
F3 -1.1356 -0.2769 0.0000
H4 -0.2349 1.5038 0.0000
H5 1.2321 -1.2348 0.0000
H6 2.0966 0.4290 0.0000

Atom - Atom Distances (Å)
  C1 C2 F3 H4 H5 H6
C11.32901.34701.08202.08532.0967
C21.32902.32682.18051.08701.0770
F31.34702.32681.99552.55413.3084
H41.08202.18051.99553.10682.5674
H52.08531.08702.55413.10681.8750
H62.09671.07703.30842.56741.8750

Calculated geometries for CH2CHF (Ethene, fluoro-).


References
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squib reference DOI
1976Hellwege(II/7) Hellwege, KH and AM Hellwege (ed.). Landolt-Bornstein: Group II: Atomic and Molecular Physics Volume 7: Structure Data of Free Polyatomic Molecules. Springer-Verlag. Berlin. 1976.  

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