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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

PBE1PBE/cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3224 0.1631 0.0000   0.1889 0.2613 0.1631
C2 -0.8991 1.0323 0.0000   -0.5267 -0.7287 1.0323
H3 1.2718 0.7260 0.0000   0.7450 1.0307 0.7260
F4 0.3224 -0.6463 1.0967   1.0777 -0.3811 -0.6463
F5 0.3224 -0.6463 -1.0967   -0.7000 0.9037 -0.6463
H6 -1.7953 0.3954 0.0000   -1.0516 -1.4550 0.3954
H7 -0.9099 1.6695 0.8948   0.1923 -1.2616 1.6695
H8 -0.9099 1.6695 -0.8948   -1.2582 -0.2133 1.6695
Atom - Atom Distances (Å)
  C1 C2 H3 F4 F5 H6 H7 H8
C1 1.4992 1.1037 1.3630 1.3630 2.1304 2.1421 2.1421
C2 1.4992 2.1924 2.3478 2.3478 1.0994 1.0986 1.0986
H3 1.1037 2.1924 1.9968 1.9968 3.0848 2.5398 2.5398
F4 1.3630 2.3478 1.9968 2.1934 2.6024 2.6310 3.2936
F5 1.3630 2.3478 1.9968 2.1934 2.6024 3.2936 2.6310
H6 2.1304 1.0994 3.0848 2.6024 2.6024 1.7911 1.7911
H7 2.1421 1.0986 2.5398 2.6310 3.2936 1.7911 1.7897
H8 2.1421 1.0986 2.5398 3.2936 2.6310 1.7911 1.7897
Maximum atom distance is 3.2936Å 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 110.136 C2 C1 F5 110.136
F4 C1 F5 107.147
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 109.167 C1 C2 H7 110.137
C1 C2 H8 110.137 C2 C1 H3 113.899
H3 C1 F4 107.630 H3 C1 F5 107.630
H6 C2 H7 109.148 H6 C2 H8 109.148
H7 C2 H8 109.083

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