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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

B3LYP/3-21G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.4205 -0.0116 0.0000   -0.4201 -0.0218 0.0000
C2 -0.8450 1.4261 0.0000   -0.8794 1.4052 0.0000
Cl3 1.5100 -0.0894 0.0000   1.5117 -0.0527 0.0000
F4 -0.8450 -0.6822 1.1145   -0.8282 -0.7026 1.1145
F5 -0.8450 -0.6822 -1.1145   -0.8282 -0.7026 -1.1145
H6 -1.9394 1.4689 0.0000   -1.9745 1.4213 0.0000
H7 -0.4632 1.9218 0.8918   -0.5098 1.9100 0.8918
H8 -0.4632 1.9218 -0.8918   -0.5098 1.9100 -0.8918
Atom - Atom Distances (Å)
  C1 C2 Cl3 F4 F5 H6 H7 H8
C1 1.4991 1.9321 1.3683 1.3683 2.1210 2.1296 2.1296
C2 1.4991 2.8006 2.3848 2.3848 1.0951 1.0894 1.0894
Cl3 1.9321 2.8006 2.6720 2.6720 3.7850 2.9554 2.9554
F4 1.3683 2.3848 2.6720 2.2290 2.6584 2.6413 3.3094
F5 1.3683 2.3848 2.6720 2.2290 2.6584 3.3094 2.6413
H6 2.1210 1.0951 3.7850 2.6584 2.6584 1.7831 1.7831
H7 2.1296 1.0894 2.9554 2.6413 3.3094 1.7831 1.7837
H8 2.1296 1.0894 2.9554 3.3094 2.6413 1.7831 1.7837
Maximum atom distance is 3.7850Å 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 108.759 C2 C1 F4 112.473
C2 C1 F5 112.473 Cl3 C1 F4 106.874
Cl3 C1 F5 106.874 F4 C1 F5 109.083
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 108.688 C1 C2 H7 109.702
C1 C2 H8 109.702 H6 C2 H7 109.417
H6 C2 H8 109.417 H7 C2 H8 109.893

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