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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

PBEPBE/cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.3632 0.0022 0.0000   -0.3625 -0.0218 0.0000
C2 -0.8229 1.4397 0.0000   -0.9163 1.3821 0.0000
Cl3 1.4562 -0.1224 0.0000   1.4611 -0.0257 0.0000
F4 -0.8229 -0.6630 1.0957   -0.7772 -0.7160 1.0957
F5 -0.8229 -0.6630 -1.0957   -0.7772 -0.7160 -1.0957
H6 -1.9306 1.4513 0.0000   -2.0224 1.3203 0.0000
H7 -0.4486 1.9555 0.9023   -0.5771 1.9216 0.9023
H8 -0.4486 1.9555 -0.9023   -0.5771 1.9216 -0.9023
Atom - Atom Distances (Å)
  C1 C2 Cl3 F4 F5 H6 H7 H8
C1 1.5092 1.8236 1.3618 1.3618 2.1346 2.1533 2.1533
C2 1.5092 2.7630 2.3710 2.3710 1.1078 1.1047 1.1047
Cl3 1.8236 2.7630 2.5860 2.5860 3.7346 2.9598 2.9598
F4 1.3618 2.3710 2.5860 2.1914 2.6264 2.6522 3.3150
F5 1.3618 2.3710 2.5860 2.1914 2.6264 3.3150 2.6522
H6 2.1346 1.1078 3.7346 2.6264 2.6264 1.8069 1.8069
H7 2.1533 1.1047 2.9598 2.6522 3.3150 1.8069 1.8047
H8 2.1533 1.1047 2.9598 3.3150 2.6522 1.8069 1.8047
Maximum atom distance is 3.7346Å 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 111.652 C2 C1 F4 111.250
C2 C1 F5 111.250 Cl3 C1 F4 107.663
Cl3 C1 F5 107.663 F4 C1 F5 107.148
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 108.335 C1 C2 H7 109.972
C1 C2 H8 109.972 H6 C2 H7 109.504
H6 C2 H8 109.504 H7 C2 H8 109.534

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