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Geometry for CH3CHF2 (Ethane, 1,1-difluoro-) 1A' CS

1910171554
InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3 INChIKey=NPNPZTNLOVBDOC-UHFFFAOYSA-N

BLYP/3-21G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3342 0.1772 0.0000   0.0000 -0.0592 0.3737
C2 -0.9277 1.0285 0.0000   0.0000 1.3795 -0.1232
H3 1.2571 0.7819 0.0000   0.0000 -0.1307 1.4746
F4 0.3342 -0.6501 1.1475   1.1475 -0.7205 -0.1236
F5 0.3342 -0.6501 -1.1475   -1.1475 -0.7205 -0.1236
H6 -1.8025 0.3618 0.0000   0.0000 1.3725 -1.2232
H7 -0.9552 1.6619 0.8979   0.8979 1.9023 0.2354
H8 -0.9552 1.6619 -0.8979   -0.8979 1.9023 0.2354
Atom - Atom Distances (Å)
  C1 C2 H3 F4 F5 H6 H7 H8
C1 1.5222 1.1033 1.4147 1.4147 2.1447 2.1618 2.1618
C2 1.5222 2.1986 2.3931 2.3931 1.0999 1.0992 1.0992
H3 1.1033 2.1986 2.0540 2.0540 3.0883 2.5446 2.5446
F4 1.4147 2.3931 2.0540 2.2951 2.6280 2.6590 3.3454
F5 1.4147 2.3931 2.0540 2.2951 2.6280 3.3454 2.6590
H6 2.1447 1.0999 3.0883 2.6280 2.6280 1.7929 1.7929
H7 2.1618 1.0992 2.5446 2.6590 3.3454 1.7929 1.7958
H8 2.1618 1.0992 2.5446 3.3454 2.6590 1.7929 1.7958
Maximum atom distance is 3.3454Å between atoms F4 and H8.
picture of Ethane, 1,1-difluoro-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 F4 109.089 C2 C1 F5 109.089
F4 C1 F5 108.420
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 108.688 C1 C2 H7 110.063
C1 C2 H8 110.063 C2 C1 H3 112.764
H3 C1 F4 108.694 H3 C1 F5 108.694
H6 C2 H7 109.229 H6 C2 H8 109.229
H7 C2 H8 109.547

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