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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

HSEh1PBE/6-31G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3253 0.1837 0.0000   0.1941 0.2611 0.1837
C2 -0.9051 1.0317 0.0000   -0.5399 -0.7265 1.0317
H3 1.2689 0.7316 0.0000   0.7569 1.0184 0.7316
F4 0.3253 -0.6525 1.1332   1.1036 -0.4149 -0.6525
F5 0.3253 -0.6525 -1.1332   -0.7154 0.9371 -0.6525
H6 -1.7887 0.3895 0.0000   -1.0670 -1.4356 0.3895
H7 -0.9289 1.6656 0.8890   0.1594 -1.2758 1.6656
H8 -0.9289 1.6656 -0.8890   -1.2676 -0.2152 1.6656
Atom - Atom Distances (Å)
  C1 C2 H3 F4 F5 H6 H7 H8
C1 1.4944 1.0911 1.4083 1.4083 2.1240 2.1352 2.1352
C2 1.4944 2.1947 2.3737 2.3737 1.0923 1.0921 1.0921
H3 1.0911 2.1947 2.0224 2.0224 3.0767 2.5481 2.5481
F4 1.4083 2.3737 2.0224 2.2664 2.6152 2.6469 3.3220
F5 1.4083 2.3737 2.0224 2.2664 2.6152 3.3220 2.6469
H6 2.1240 1.0923 3.0767 2.6152 2.6152 1.7771 1.7771
H7 2.1352 1.0921 2.5481 2.6469 3.3220 1.7771 1.7779
H8 2.1352 1.0921 2.5481 3.3220 2.6469 1.7771 1.7779
Maximum atom distance is 3.3220Å 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 109.689 C2 C1 F5 109.689
F4 C1 F5 107.153
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 109.417 C1 C2 H7 110.321
C1 C2 H8 110.321 C2 C1 H3 115.288
H3 C1 F4 107.346 H3 C1 F5 107.346
H6 C2 H7 108.886 H6 C2 H8 108.886
H7 C2 H8 108.978

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