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Geometry for CH3CF2Cl (1-Chloro-1,1-Difluoroethane) 1A' CS

1910171554
InChI=1S/C2H3ClF2/c1-2(3,4)5/h1H3 INChIKey=BHNZEZWIUMJCGF-UHFFFAOYSA-N

CID/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.3393 0.0047 0.0000   0.3386 0.0212 0.0000
C2 -0.8080 1.4286 0.0000   0.9144 -1.3630 0.0000
Cl3 1.4246 -0.1350 0.0000   -1.4307 0.0262 0.0000
F4 -0.8080 -0.6445 1.0792   0.7566 0.7041 1.0792
F5 -0.8080 -0.6445 -1.0792   0.7566 0.7041 -1.0792
H6 -1.8950 1.4205 0.0000   1.9976 -1.2722 0.0000
H7 -0.4477 1.9379 0.8876   0.5939 -1.8983 0.8876
H8 -0.4477 1.9379 -0.8876   0.5939 -1.8983 -0.8876
Atom - Atom Distances (Å)
  C1 C2 Cl3 F4 F5 H6 H7 H8
C1 1.4991 1.7694 1.3438 1.3438 2.1036 2.1300 2.1300
C2 1.4991 2.7257 2.3372 2.3372 1.0870 1.0849 1.0849
Cl3 1.7694 2.7257 2.5316 2.5316 3.6660 2.9309 2.9309
F4 1.3438 2.3372 2.5316 2.1584 2.5711 2.6145 3.2660
F5 1.3438 2.3372 2.5316 2.1584 2.5711 3.2660 2.6145
H6 2.1036 1.0870 3.6660 2.5711 2.5711 1.7749 1.7749
H7 2.1300 1.0849 2.9309 2.6145 3.2660 1.7749 1.7751
H8 2.1300 1.0849 2.9309 3.2660 2.6145 1.7749 1.7751
Maximum atom distance is 3.6660Å between atoms Cl3 and H6.
picture of 1-Chloro-1,1-Difluoroethane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 Cl3 112.750 C2 C1 F4 110.473
C2 C1 F5 110.473 Cl3 C1 F4 108.035
Cl3 C1 F5 108.035 F4 C1 F5 106.854
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 107.796 C1 C2 H7 110.004
C1 C2 H8 110.004 H6 C2 H7 109.609
H6 C2 H8 109.609 H7 C2 H8 109.789

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