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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

B3LYP/LANL2DZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3267 0.1919 0.0000   -0.0340 0.0000 0.3774
C2 -0.9118 1.0564 0.0000   1.3896 0.0000 -0.1271
H3 1.2833 0.7238 0.0000   -0.1579 0.0000 1.4649
F4 0.3267 -0.6679 1.1425   -0.7333 1.1425 -0.1228
F5 0.3267 -0.6679 -1.1425   -0.7333 -1.1425 -0.1228
H6 -1.8056 0.4248 0.0000   1.3959 0.0000 -1.2215
H7 -0.9242 1.6917 0.8920   1.9137 0.8920 0.2324
H8 -0.9242 1.6917 -0.8920   1.9137 -0.8920 0.2324
Atom - Atom Distances (Å)
  C1 C2 H3 F4 F5 H6 H7 H8
C1 1.5104 1.0946 1.4298 1.4298 2.1450 2.1471 2.1471
C2 1.5104 2.2202 2.4109 2.4109 1.0944 1.0952 1.0952
H3 1.0946 2.2202 2.0389 2.0389 3.1034 2.5702 2.5702
F4 1.4298 2.4109 2.0389 2.2850 2.6545 2.6824 3.3573
F5 1.4298 2.4109 2.0389 2.2850 2.6545 3.3573 2.6824
H6 2.1450 1.0944 3.1034 2.6545 2.6545 1.7826 1.7826
H7 2.1471 1.0952 2.5702 2.6824 3.3573 1.7826 1.7840
H8 2.1471 1.0952 2.5702 3.3573 2.6824 1.7826 1.7840
Maximum atom distance is 3.3573Å 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 110.131 C2 C1 F5 110.131
F4 C1 F5 106.078
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 109.840 C1 C2 H7 109.960
C1 C2 H8 109.960 C2 C1 H3 116.007
H3 C1 F4 106.989 H3 C1 F5 106.989
H6 C2 H7 108.996 H6 C2 H8 108.996
H7 C2 H8 109.066

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