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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

CCD/6-31+G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3240 0.1720 0.0000   -0.0521 0.0000 0.3631
C2 -0.9056 1.0356 0.0000   1.3704 0.0000 -0.1208
H3 1.2671 0.7162 0.0000   -0.1687 0.0000 1.4457
F4 0.3240 -0.6494 1.1044   -0.7155 1.1044 -0.1212
F5 0.3240 -0.6494 -1.1044   -0.7155 -1.1044 -0.1212
H6 -1.7878 0.3982 0.0000   1.3758 0.0000 -1.2092
H7 -0.9109 1.6646 0.8885   1.8815 0.8885 0.2458
H8 -0.9109 1.6646 -0.8885   1.8815 -0.8885 0.2458
Atom - Atom Distances (Å)
  C1 C2 H3 F4 F5 H6 H7 H8
C1 1.5026 1.0889 1.3764 1.3764 2.1239 2.1313 2.1313
C2 1.5026 2.1961 2.3603 2.3603 1.0884 1.0886 1.0886
H3 1.0889 2.1961 1.9935 1.9935 3.0715 2.5363 2.5363
F4 1.3764 2.3603 1.9935 2.2088 2.6032 2.6318 3.2941
F5 1.3764 2.3603 1.9935 2.2088 2.6032 3.2941 2.6318
H6 2.1239 1.0884 3.0715 2.6032 2.6032 1.7783 1.7783
H7 2.1313 1.0886 2.5363 2.6318 3.2941 1.7783 1.7770
H8 2.1313 1.0886 2.5363 3.2941 2.6318 1.7783 1.7770
Maximum atom distance is 3.2941Å 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 110.060 C2 C1 F5 110.060
F4 C1 F5 106.723
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 109.068 C1 C2 H7 109.640
C1 C2 H8 109.640 C2 C1 H3 114.932
H3 C1 F4 107.352 H3 C1 F5 107.352
H6 C2 H7 109.537 H6 C2 H8 109.537
H7 C2 H8 109.405

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