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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

B2PLYP/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3255 0.1660 0.0000   -0.0600 0.0000 0.3605
C2 -0.9067 1.0284 0.0000   1.3659 0.0000 -0.1181
H3 1.2635 0.7272 0.0000   -0.1660 0.0000 1.4483
F4 0.3255 -0.6444 1.1051   -0.7118 1.1051 -0.1212
F5 0.3255 -0.6444 -1.1051   -0.7118 -1.1051 -0.1212
H6 -1.7888 0.3855 0.0000   1.3731 0.0000 -1.2095
H7 -0.9237 1.6605 0.8896   1.8844 0.8896 0.2439
H8 -0.9237 1.6605 -0.8896   1.8844 -0.8896 0.2439
Atom - Atom Distances (Å)
  C1 C2 H3 F4 F5 H6 H7 H8
C1 1.5040 1.0930 1.3705 1.3705 2.1257 2.1414 2.1414
C2 1.5040 2.1910 2.3533 2.3533 1.0915 1.0915 1.0915
H3 1.0930 2.1910 1.9956 1.9956 3.0713 2.5389 2.5389
F4 1.3705 2.3533 1.9956 2.2103 2.5985 2.6305 3.2943
F5 1.3705 2.3533 1.9956 2.2103 2.5985 3.2943 2.6305
H6 2.1257 1.0915 3.0713 2.5985 2.5985 1.7792 1.7792
H7 2.1414 1.0915 2.5389 2.6305 3.2943 1.7792 1.7793
H8 2.1414 1.0915 2.5389 3.2943 2.6305 1.7792 1.7793
Maximum atom distance is 3.2943Å 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 109.820 C2 C1 F5 109.820
F4 C1 F5 107.491
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 108.928 C1 C2 H7 110.170
C1 C2 H8 110.170 C2 C1 H3 114.123
H3 C1 F4 107.675 H3 C1 F5 107.675
H6 C2 H7 109.182 H6 C2 H8 109.182
H7 C2 H8 109.188

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