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Geometry for C2H5F (fluoroethane) 1A' CS

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

B3PW91/cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.5534 0.0000   0.0831 -0.5471 0.0000
C2 1.1230 -0.4509 0.0000   -1.1779 0.2772 0.0000
F3 -1.2262 -0.0992 0.0000   1.1974 0.2822 0.0000
H4 0.0317 1.1912 0.8876   0.1475 -1.1825 0.8876
H5 0.0317 1.1912 -0.8876   0.1475 -1.1825 -0.8876
H6 2.0852 0.0661 0.0000   -2.0516 -0.3783 0.0000
H7 1.0746 -1.0854 0.8856   -1.2254 0.9118 0.8856
H8 1.0746 -1.0854 -0.8856   -1.2254 0.9118 -0.8856
Atom - Atom Distances (Å)
  C1 C2 F3 H4 H5 H6 H7 H8
C1 1.5065 1.3890 1.0935 1.0935 2.1414 2.1505 2.1505
C2 1.5065 2.3754 2.1622 2.1622 1.0922 1.0906 1.0906
F3 1.3890 2.3754 2.0088 2.0088 3.3155 2.6553 2.6553
H4 1.0935 2.1622 2.0088 1.7752 2.5041 2.5041 3.0684
H5 1.0935 2.1622 2.0088 1.7752 2.5041 3.0684 2.5041
H6 2.1414 1.0922 3.3155 2.5041 2.5041 1.7696 1.7696
H7 2.1505 1.0906 2.6553 2.5041 3.0684 1.7696 1.7713
H8 2.1505 1.0906 2.6553 3.0684 2.5041 1.7696 1.7713
Maximum atom distance is 3.3155Å 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 110.173
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 109.949 C1 C2 H7 110.781
C1 C2 H8 110.781 C2 C1 H4 111.544
C2 C1 H5 111.544 F3 C1 H4 107.436
F3 C1 H5 107.436 H4 C1 H5 108.531
H6 C2 H7 108.327 H6 C2 H8 108.327
H7 C2 H8 108.601

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