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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

MP2/cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.3501 -0.0016 0.0000   0.3488 0.0305 0.0000
C2 -0.8144 1.4318 0.0000   0.9300 -1.3595 0.0000
Cl3 1.4378 -0.1212 0.0000   -1.4429 0.0019 0.0000
F4 -0.8144 -0.6577 1.0886   0.7572 0.7228 1.0886
F5 -0.8144 -0.6577 -1.0886   0.7572 0.7228 -1.0886
H6 -1.9151 1.4358 0.0000   2.0273 -1.2725 0.0000
H7 -0.4413 1.9413 0.8986   0.6003 -1.8981 0.8986
H8 -0.4413 1.9413 -0.8986   0.6003 -1.8981 -0.8986
Atom - Atom Distances (Å)
  C1 C2 Cl3 F4 F5 H6 H7 H8
C1 1.5066 1.7919 1.3532 1.3532 2.1249 2.1425 2.1425
C2 1.5066 2.7357 2.3560 2.3560 1.1007 1.0983 1.0983
Cl3 1.7919 2.7357 2.5584 2.5584 3.6968 2.9313 2.9313
F4 1.3532 2.3560 2.5584 2.1772 2.6037 2.6325 3.2928
F5 1.3532 2.3560 2.5584 2.1772 2.6037 3.2928 2.6325
H6 2.1249 1.1007 3.6968 2.6037 2.6037 1.7986 1.7986
H7 2.1425 1.0983 2.9313 2.6325 3.2928 1.7986 1.7971
H8 2.1425 1.0983 2.9313 3.2928 2.6325 1.7986 1.7971
Maximum atom distance is 3.6968Å 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 111.777 C2 C1 F4 110.828
C2 C1 F5 110.828 Cl3 C1 F4 108.055
Cl3 C1 F5 108.055 F4 C1 F5 107.120
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 108.156 C1 C2 H7 109.674
C1 C2 H8 109.674 H6 C2 H7 109.756
H6 C2 H8 109.756 H7 C2 H8 109.802

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