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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

B97D3/cc-pVQZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3216 0.1642 0.0000   -0.0540 0.0000 0.3570
C2 -0.8997 1.0490 0.0000   1.3768 0.0000 -0.1198
H3 1.2730 0.7104 0.0000   -0.1646 0.0000 1.4485
F4 0.3216 -0.6550 1.1100   -0.7197 1.1100 -0.1204
F5 0.3216 -0.6550 -1.1100   -0.7197 -1.1100 -0.1204
H6 -1.8015 0.4324 0.0000   1.4013 0.0000 -1.2119
H7 -0.8955 1.6836 0.8895   1.8900 0.8895 0.2535
H8 -0.8955 1.6836 -0.8895   1.8900 -0.8895 0.2535
Atom - Atom Distances (Å)
  C1 C2 H3 F4 F5 H6 H7 H8
C1 1.5081 1.0971 1.3795 1.3795 2.1400 2.1403 2.1403
C2 1.5081 2.1990 2.3722 2.3722 1.0924 1.0927 1.0927
H3 1.0971 2.1990 2.0004 2.0004 3.0871 2.5379 2.5379
F4 1.3795 2.3722 2.0004 2.2200 2.6310 2.6455 3.3088
F5 1.3795 2.3722 2.0004 2.2200 2.6310 3.3088 2.6455
H6 2.1400 1.0924 3.0871 2.6310 2.6310 1.7825 1.7825
H7 2.1403 1.0927 2.5379 2.6455 3.3088 1.7825 1.7790
H8 2.1403 1.0927 2.5379 3.3088 2.6455 1.7825 1.7790
Maximum atom distance is 3.3088Å 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 110.388 C2 C1 F5 110.388
F4 C1 F5 107.145
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 109.716 C1 C2 H7 109.730
C1 C2 H8 109.730 C2 C1 H3 114.217
H3 C1 F4 107.196 H3 C1 F5 107.196
H6 C2 H7 109.328 H6 C2 H8 109.328
H7 C2 H8 108.990

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