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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

B3PW91/cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.3574 0.0024 0.0000   0.3563 0.0279 0.0000
C2 -0.8155 1.4335 0.0000   0.9342 -1.3591 0.0000
Cl3 1.4424 -0.1263 0.0000   -1.4479 0.0034 0.0000
F4 -0.8155 -0.6557 1.0846   0.7569 0.7226 1.0846
F5 -0.8155 -0.6557 -1.0846   0.7569 0.7226 -1.0846
H6 -1.9154 1.4435 0.0000   2.0310 -1.2757 0.0000
H7 -0.4442 1.9452 0.8965   0.6077 -1.9005 0.8965
H8 -0.4442 1.9452 -0.8965   0.6077 -1.9005 -0.8965
Atom - Atom Distances (Å)
  C1 C2 Cl3 F4 F5 H6 H7 H8
C1 1.5027 1.8043 1.3489 1.3489 2.1223 2.1414 2.1414
C2 1.5027 2.7443 2.3540 2.3540 1.0999 1.0970 1.0970
Cl3 1.8043 2.7443 2.5602 2.5602 3.7066 2.9417 2.9417
F4 1.3489 2.3540 2.5602 2.1693 2.6063 2.6340 3.2905
F5 1.3489 2.3540 2.5602 2.1693 2.6063 3.2905 2.6340
H6 2.1223 1.0999 3.7066 2.6063 2.6063 1.7944 1.7944
H7 2.1414 1.0970 2.9417 2.6340 3.2905 1.7944 1.7931
H8 2.1414 1.0970 2.9417 3.2905 2.6340 1.7944 1.7931
Maximum atom distance is 3.7066Å 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 111.842 C2 C1 F4 111.169
C2 C1 F5 111.169 Cl3 C1 F4 107.697
Cl3 C1 F5 107.697 F4 C1 F5 107.047
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 108.272 C1 C2 H7 109.937
C1 C2 H8 109.937 H6 C2 H7 109.527
H6 C2 H8 109.527 H7 C2 H8 109.620

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