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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/Def2TZVPP


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.3524 -0.0012 0.0000   -0.3513 -0.0282 0.0000
C2 -0.8161 1.4361 0.0000   -0.9241 1.3691 0.0000
Cl3 1.4416 -0.1292 0.0000   1.4473 -0.0180 0.0000
F4 -0.8161 -0.6525 1.0854   -0.7636 -0.7132 1.0854
F5 -0.8161 -0.6525 -1.0854   -0.7636 -0.7132 -1.0854
H6 -1.9060 1.4415 0.0000   -2.0111 1.2908 0.0000
H7 -0.4499 1.9447 0.8879   -0.5980 1.9044 0.8879
H8 -0.4499 1.9447 -0.8879   -0.5980 1.9044 -0.8879
Atom - Atom Distances (Å)
  C1 C2 Cl3 F4 F5 H6 H7 H8
C1 1.5102 1.7986 1.3481 1.3481 2.1201 2.1411 2.1411
C2 1.5102 2.7473 2.3537 2.3537 1.0898 1.0868 1.0868
Cl3 1.7986 2.7473 2.5592 2.5592 3.6978 2.9440 2.9440
F4 1.3481 2.3537 2.5592 2.1709 2.5982 2.6303 3.2823
F5 1.3481 2.3537 2.5592 2.1709 2.5982 3.2823 2.6303
H6 2.1201 1.0898 3.6978 2.5982 2.5982 1.7781 1.7781
H7 2.1411 1.0868 2.9440 2.6303 3.2823 1.7781 1.7758
H8 2.1411 1.0868 2.9440 3.2823 2.6303 1.7781 1.7758
Maximum atom distance is 3.6978Å 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 111.965 C2 C1 F4 110.741
C2 C1 F5 110.741 Cl3 C1 F4 107.983
Cl3 C1 F5 107.983 F4 C1 F5 107.250
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 108.170 C1 C2 H7 109.994
C1 C2 H8 109.994 H6 C2 H7 109.549
H6 C2 H8 109.549 H7 C2 H8 109.563

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