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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

MP2=FULL/aug-cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3210 0.1685 0.0000   -0.0528 0.0000 0.3587
C2 -0.8970 1.0283 0.0000   1.3593 0.0000 -0.1198
H3 1.2586 0.7173 0.0000   -0.1611 0.0000 1.4397
F4 0.3210 -0.6446 1.0953   -0.7100 1.0953 -0.1200
F5 0.3210 -0.6446 -1.0953   -0.7100 -1.0953 -0.1200
H6 -1.7778 0.3940 0.0000   1.3651 0.0000 -1.2051
H7 -0.9013 1.6556 0.8853   1.8689 0.8853 0.2460
H8 -0.9013 1.6556 -0.8853   1.8689 -0.8853 0.2460
Atom - Atom Distances (Å)
  C1 C2 H3 F4 F5 H6 H7 H8
C1 1.4909 1.0864 1.3641 1.3641 2.1109 2.1188 2.1188
C2 1.4909 2.1779 2.3413 2.3413 1.0854 1.0851 1.0851
H3 1.0864 2.1779 1.9833 1.9833 3.0536 2.5158 2.5158
F4 1.3641 2.3413 1.9833 2.1906 2.5853 2.6133 3.2723
F5 1.3641 2.3413 1.9833 2.1906 2.5853 3.2723 2.6133
H6 2.1109 1.0854 3.0536 2.5853 2.5853 1.7730 1.7730
H7 2.1188 1.0851 2.5158 2.6133 3.2723 1.7730 1.7707
H8 2.1188 1.0851 2.5158 3.2723 2.6133 1.7730 1.7707
Maximum atom distance is 3.2723Å 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 110.105 C2 C1 F5 110.105
F4 C1 F5 106.824
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 109.025 C1 C2 H7 109.673
C1 C2 H8 109.673 C2 C1 H3 114.439
H3 C1 F4 107.525 H3 C1 F5 107.525
H6 C2 H7 109.548 H6 C2 H8 109.548
H7 C2 H8 109.360

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