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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/6-311G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3225 0.1637 0.0000   -0.0582 0.0000 0.3570
C2 -0.8986 1.0304 0.0000   1.3622 0.0000 -0.1171
H3 1.2671 0.7158 0.0000   -0.1702 0.0000 1.4453
F4 0.3225 -0.6448 1.0974   -0.7108 1.0974 -0.1203
F5 0.3225 -0.6448 -1.0974   -0.7108 -1.0974 -0.1203
H6 -1.7884 0.3980 0.0000   1.3770 0.0000 -1.2085
H7 -0.9134 1.6641 0.8884   1.8824 0.8884 0.2451
H8 -0.9134 1.6641 -0.8884   1.8824 -0.8884 0.2451
Atom - Atom Distances (Å)
  C1 C2 H3 F4 F5 H6 H7 H8
C1 1.4974 1.0941 1.3631 1.3631 2.1238 2.1372 2.1372
C2 1.4974 2.1884 2.3456 2.3456 1.0916 1.0913 1.0913
H3 1.0941 2.1884 1.9869 1.9869 3.0719 2.5383 2.5383
F4 1.3631 2.3456 1.9869 2.1949 2.5976 2.6272 3.2866
F5 1.3631 2.3456 1.9869 2.1949 2.5976 3.2866 2.6272
H6 2.1238 1.0916 3.0719 2.5976 2.5976 1.7770 1.7770
H7 2.1372 1.0913 2.5383 2.6272 3.2866 1.7770 1.7768
H8 2.1372 1.0913 2.5383 3.2866 2.6272 1.7770 1.7768
Maximum atom distance is 3.2866Å 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 110.078 C2 C1 F5 110.078
F4 C1 F5 107.239
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 109.232 C1 C2 H7 110.309
C1 C2 H8 110.309 C2 C1 H3 114.330
H3 C1 F4 107.415 H3 C1 F5 107.415
H6 C2 H7 108.987 H6 C2 H8 108.987
H7 C2 H8 108.989

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