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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

QCISD(T)=FULL/6-311+G(3df,2p)


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3232 0.1649 0.0000   -0.0581 0.0000 0.3581
C2 -0.9026 1.0309 0.0000   1.3651 0.0000 -0.1186
H3 1.2640 0.7179 0.0000   -0.1682 0.0000 1.4439
F4 0.3232 -0.6451 1.0941   -0.7114 1.0941 -0.1207
F5 0.3232 -0.6451 -1.0941   -0.7114 -1.0941 -0.1207
H6 -1.7880 0.3964 0.0000   1.3767 0.0000 -1.2077
H7 -0.9084 1.6613 0.8879   1.8769 0.8879 0.2494
H8 -0.9084 1.6613 -0.8879   1.8769 -0.8879 0.2494
Atom - Atom Distances (Å)
  C1 C2 H3 F4 F5 H6 H7 H8
C1 1.5009 1.0914 1.3613 1.3613 2.1238 2.1318 2.1318
C2 1.5009 2.1891 2.3471 2.3471 1.0892 1.0889 1.0889
H3 1.0914 2.1891 1.9850 1.9850 3.0689 2.5294 2.5294
F4 1.3613 2.3471 1.9850 2.1883 2.5959 2.6227 3.2809
F5 1.3613 2.3471 1.9850 2.1883 2.5959 3.2809 2.6227
H6 2.1238 1.0892 3.0689 2.5959 2.5959 1.7781 1.7781
H7 2.1318 1.0889 2.5294 2.6227 3.2809 1.7781 1.7758
H8 2.1318 1.0889 2.5294 3.2809 2.6227 1.7781 1.7758
Maximum atom distance is 3.2809Å 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 110.079 C2 C1 F5 110.079
F4 C1 F5 106.977
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 109.131 C1 C2 H7 109.779
C1 C2 H8 109.779 C2 C1 H3 114.310
H3 C1 F4 107.548 H3 C1 F5 107.548
H6 C2 H7 109.443 H6 C2 H8 109.443
H7 C2 H8 109.252

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