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Geometry for CF3CH2F (1,1,1,2-tetrafluoroethane) 1A' CS

1910171554
InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2 INChIKey=LVGUZGTVOIAKKC-UHFFFAOYSA-N

MP2=FULL/6-31G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3538 0.1975 0.0000   -0.4050 0.0112 0.0000
C2 -1.1519 0.2385 0.0000   0.8680 -0.7940 0.0000
F3 0.8305 1.4621 0.0000   -1.4614 -0.8317 0.0000
F4 0.8305 -0.4323 1.0878   -0.4926 0.7962 1.0878
F5 0.8305 -0.4323 -1.0878   -0.4926 0.7962 -1.0878
F6 -1.6282 -1.0569 0.0000   1.9397 0.0756 0.0000
H7 -1.4904 0.7593 0.8922   0.8924 -1.4147 0.8922
H8 -1.4904 0.7593 -0.8922   0.8924 -1.4147 -0.8922
Atom - Atom Distances (Å)
  C1 C2 F3 F4 F5 F6 H7 H8
C1 1.5063 1.3515 1.3443 1.3443 2.3456 2.1243 2.1243
C2 1.5063 2.3297 2.3586 2.3586 1.3801 1.0871 1.0871
F3 1.3515 2.3297 2.1845 2.1845 3.5200 2.5839 2.5839
F4 1.3443 2.3586 2.1845 2.1755 2.7602 2.6162 3.2752
F5 1.3443 2.3586 2.1845 2.1755 2.7602 3.2752 2.6162
F6 2.3456 1.3801 3.5200 2.7602 2.7602 2.0282 2.0282
H7 2.1243 1.0871 2.5839 2.6162 3.2752 2.0282 1.7844
H8 2.1243 1.0871 2.5839 3.2752 2.6162 2.0282 1.7844
Maximum atom distance is 3.5200Å between atoms F3 and F6.
picture of 1,1,1,2-tetrafluoroethane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 F6 108.629 C2 C1 F3 109.094
C2 C1 F4 111.543 C2 C1 F5 111.543
F3 C1 F4 108.259 F3 C1 F5 108.259
F4 C1 F5 108.034
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 108.919 C1 C2 H8 108.919
F6 C2 H7 110.014 F6 C2 H8 110.014
H7 C2 H8 110.307

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