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Geometry for C2H5F (fluoroethane) 1A' CS

1910171554
InChI=1S/C2H5F/c1-2-3/h2H2,1H3 INChIKey=UHCBBWUQDAVSMS-UHFFFAOYSA-N

MP2/Def2TZVPP


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.5514 0.0000   0.0763 -0.5461 0.0000
C2 1.1159 -0.4570 0.0000   -1.1684 0.2982 0.0000
F3 -1.2236 -0.0910 0.0000   1.1993 0.2593 0.0000
H4 0.0579 1.1869 0.8838   0.1069 -1.1835 0.8838
H5 0.0579 1.1869 -0.8838   0.1069 -1.1835 -0.8838
H6 2.0748 0.0585 0.0000   -2.0468 -0.3449 0.0000
H7 1.0633 -1.0899 0.8830   -1.2038 0.9324 0.8830
H8 1.0633 -1.0899 -0.8830   -1.2038 0.9324 -0.8830
Atom - Atom Distances (Å)
  C1 C2 F3 H4 H5 H6 H7 H8
C1 1.5040 1.3820 1.0901 1.0901 2.1325 2.1457 2.1457
C2 1.5040 2.3680 2.1454 2.1454 1.0886 1.0877 1.0877
F3 1.3820 2.3680 2.0140 2.0140 3.3018 2.6472 2.6472
H4 1.0901 2.1454 2.0140 1.7675 2.4743 2.4889 3.0522
H5 1.0901 2.1454 2.0140 1.7675 2.4743 3.0522 2.4889
H6 2.1325 1.0886 3.3018 2.4743 2.4743 1.7668 1.7668
H7 2.1457 1.0877 2.6472 2.4889 3.0522 1.7668 1.7659
H8 2.1457 1.0877 2.6472 3.0522 2.4889 1.7668 1.7659
Maximum atom distance is 3.3018Å between atoms F3 and H6.
picture of fluoroethane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 F3 110.202
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 109.638 C1 C2 H7 110.748
C1 C2 H8 110.748 C2 C1 H4 110.578
C2 C1 H5 110.578 F3 C1 H4 108.540
F3 C1 H5 108.540 H4 C1 H5 108.337
H6 C2 H7 108.552 H6 C2 H8 108.552
H7 C2 H8 108.543

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.