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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

B3PW91/6-311G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3225 0.1634 0.0000   -0.0579 0.0000 0.3569
C2 -0.8990 1.0348 0.0000   1.3658 0.0000 -0.1172
H3 1.2686 0.7133 0.0000   -0.1705 0.0000 1.4453
F4 0.3225 -0.6471 1.1005   -0.7129 1.1005 -0.1204
F5 0.3225 -0.6471 -1.1005   -0.7129 -1.1005 -0.1204
H6 -1.7919 0.4064 0.0000   1.3836 0.0000 -1.2089
H7 -0.9114 1.6691 0.8885   1.8857 0.8885 0.2463
H8 -0.9114 1.6691 -0.8885   1.8857 -0.8885 0.2463
Atom - Atom Distances (Å)
  C1 C2 H3 F4 F5 H6 H7 H8
C1 1.5005 1.0943 1.3667 1.3667 2.1283 2.1399 2.1399
C2 1.5005 2.1913 2.3520 2.3520 1.0918 1.0918 1.0918
H3 1.0943 2.1913 1.9891 1.9891 3.0758 2.5407 2.5407
F4 1.3667 2.3520 1.9891 2.2009 2.6060 2.6329 3.2929
F5 1.3667 2.3520 1.9891 2.2009 2.6060 3.2929 2.6329
H6 2.1283 1.0918 3.0758 2.6060 2.6060 1.7774 1.7774
H7 2.1399 1.0918 2.5407 2.6329 3.2929 1.7774 1.7770
H8 2.1399 1.0918 2.5407 3.2929 2.6329 1.7774 1.7770
Maximum atom distance is 3.2929Å 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 110.144 C2 C1 F5 110.144
F4 C1 F5 107.262
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 109.358 C1 C2 H7 110.282
C1 C2 H8 110.282 C2 C1 H3 114.328
H3 C1 F4 107.337 H3 C1 F5 107.337
H6 C2 H7 108.974 H6 C2 H8 108.974
H7 C2 H8 108.943

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