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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

B3PW91/6-31+G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3221 0.1669 0.0000   0.1901 0.2600 0.1669
C2 -0.9000 1.0412 0.0000   -0.5312 -0.7265 1.0412
H3 1.2728 0.7105 0.0000   0.7512 1.0275 0.7105
F4 0.3221 -0.6515 1.1038   1.0811 -0.3915 -0.6515
F5 0.3221 -0.6515 -1.1038   -0.7009 0.9115 -0.6515
H6 -1.7973 0.4176 0.0000   -1.0608 -1.4509 0.4176
H7 -0.9029 1.6758 0.8897   0.1853 -1.2540 1.6758
H8 -0.9029 1.6758 -0.8897   -1.2511 -0.2038 1.6758
Atom - Atom Distances (Å)
  C1 C2 H3 F4 F5 H6 H7 H8
C1 1.5026 1.0952 1.3741 1.3741 2.1342 2.1376 2.1376
C2 1.5026 2.1978 2.3616 2.3616 1.0928 1.0929 1.0929
H3 1.0952 2.1978 1.9944 1.9944 3.0841 2.5411 2.5411
F4 1.3741 2.3616 1.9944 2.2076 2.6179 2.6388 3.3002
F5 1.3741 2.3616 1.9944 2.2076 2.6179 3.3002 2.6388
H6 2.1342 1.0928 3.0841 2.6179 2.6179 1.7818 1.7818
H7 2.1376 1.0929 2.5411 2.6388 3.3002 1.7818 1.7794
H8 2.1376 1.0929 2.5411 3.3002 2.6388 1.7818 1.7794
Maximum atom distance is 3.3002Å 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 110.276 C2 C1 F5 110.276
F4 C1 F5 106.891
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 109.623 C1 C2 H7 109.881
C1 C2 H8 109.881 C2 C1 H3 114.656
H3 C1 F4 107.197 H3 C1 F5 107.197
H6 C2 H7 109.221 H6 C2 H8 109.221
H7 C2 H8 108.995

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