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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

BLYP/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.3610 -0.0082 0.0000   0.3594 0.0354 0.0000
C2 -0.8284 1.4461 0.0000   0.9352 -1.3795 0.0000
Cl3 1.4650 -0.1290 0.0000   -1.4706 0.0181 0.0000
F4 -0.8284 -0.6566 1.1033   0.7765 0.7173 1.1033
F5 -0.8284 -0.6566 -1.1033   0.7765 0.7173 -1.1033
H6 -1.9295 1.4523 0.0000   2.0336 -1.3025 0.0000
H7 -0.4639 1.9663 0.8961   0.6110 -1.9256 0.8961
H8 -0.4639 1.9663 -0.8961   0.6110 -1.9256 -0.8961
Atom - Atom Distances (Å)
  C1 C2 Cl3 F4 F5 H6 H7 H8
C1 1.5276 1.8300 1.3624 1.3624 2.1431 2.1707 2.1707
C2 1.5276 2.7823 2.3746 2.3746 1.1011 1.0984 1.0984
Cl3 1.8300 2.7823 2.5992 2.5992 3.7448 2.9856 2.9856
F4 1.3624 2.3746 2.5992 2.2066 2.6224 2.6562 3.3181
F5 1.3624 2.3746 2.5992 2.2066 2.6224 3.3181 2.6562
H6 2.1431 1.1011 3.7448 2.6224 2.6224 1.7931 1.7931
H7 2.1707 1.0984 2.9856 2.6562 3.3181 1.7931 1.7922
H8 2.1707 1.0984 2.9856 3.3181 2.6562 1.7931 1.7922
Maximum atom distance is 3.7448Å 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 111.604 C2 C1 F4 110.373
C2 C1 F5 110.373 Cl3 C1 F4 108.114
Cl3 C1 F5 108.114 F4 C1 F5 108.154
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 108.138 C1 C2 H7 110.445
C1 C2 H8 110.445 H6 C2 H7 109.222
H6 C2 H8 109.222 H7 C2 H8 109.339

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