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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

TPSSh/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3269 0.1667 0.0000   0.1930 0.2639 0.1667
C2 -0.9106 1.0305 0.0000   -0.5375 -0.7350 1.0305
H3 1.2670 0.7279 0.0000   0.7478 1.0227 0.7279
F4 0.3269 -0.6461 1.1078   1.0872 -0.3900 -0.6461
F5 0.3269 -0.6461 -1.1078   -0.7013 0.9178 -0.6461
H6 -1.7954 0.3882 0.0000   -1.0597 -1.4493 0.3882
H7 -0.9274 1.6646 0.8909   0.1717 -1.2745 1.6646
H8 -0.9274 1.6646 -0.8909   -1.2666 -0.2228 1.6646
Atom - Atom Distances (Å)
  C1 C2 H3 F4 F5 H6 H7 H8
C1 1.5092 1.0948 1.3740 1.3740 2.1338 2.1472 2.1472
C2 1.5092 2.1985 2.3600 2.3600 1.0934 1.0936 1.0936
H3 1.0948 2.1985 1.9997 1.9997 3.0811 2.5468 2.5468
F4 1.3740 2.3600 1.9997 2.2156 2.6079 2.6381 3.3026
F5 1.3740 2.3600 1.9997 2.2156 2.6079 3.3026 2.6381
H6 2.1338 1.0934 3.0811 2.6079 2.6079 1.7822 1.7822
H7 2.1472 1.0936 2.5468 2.6381 3.3026 1.7822 1.7818
H8 2.1472 1.0936 2.5468 3.3026 2.6381 1.7822 1.7818
Maximum atom distance is 3.3026Å 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 109.791 C2 C1 F5 109.791
F4 C1 F5 107.464
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 109.104 C1 C2 H7 110.149
C1 C2 H8 110.149 C2 C1 H3 114.247
H3 C1 F4 107.652 H3 C1 F5 107.652
H6 C2 H7 109.156 H6 C2 H8 109.156
H7 C2 H8 109.105

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