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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(2df,p)


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3261 0.1627 0.0000   0.1906 0.2645 0.1627
C2 -0.9092 1.0334 0.0000   -0.5315 -0.7377 1.0334
H3 1.2660 0.7284 0.0000   0.7401 1.0272 0.7284
F4 0.3261 -0.6464 1.0985   1.0819 -0.3777 -0.6464
F5 0.3261 -0.6464 -1.0985   -0.7007 0.9067 -0.6464
H6 -1.7974 0.3967 0.0000   -1.0508 -1.4583 0.3967
H7 -0.9194 1.6670 0.8903   0.1849 -1.2664 1.6670
H8 -0.9194 1.6670 -0.8903   -1.2598 -0.2254 1.6670
Atom - Atom Distances (Å)
  C1 C2 H3 F4 F5 H6 H7 H8
C1 1.5113 1.0971 1.3644 1.3644 2.1363 2.1463 2.1463
C2 1.5113 2.1965 2.3568 2.3568 1.0928 1.0928 1.0928
H3 1.0971 2.1965 1.9951 1.9951 3.0813 2.5396 2.5396
F4 1.3644 2.3568 1.9951 2.1971 2.6085 2.6356 3.2952
F5 1.3644 2.3568 1.9951 2.1971 2.6085 3.2952 2.6356
H6 2.1363 1.0928 3.0813 2.6085 2.6085 1.7825 1.7825
H7 2.1463 1.0928 2.5396 2.6356 3.2952 1.7825 1.7807
H8 2.1463 1.0928 2.5396 3.2952 2.6356 1.7825 1.7807
Maximum atom distance is 3.2952Å 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 109.977 C2 C1 F5 109.977
F4 C1 F5 107.254
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 109.191 C1 C2 H7 109.974
C1 C2 H8 109.974 C2 C1 H3 113.783
H3 C1 F4 107.806 H3 C1 F5 107.806
H6 C2 H7 109.283 H6 C2 H8 109.283
H7 C2 H8 109.118

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