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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

HF/CEP-121G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3636 0.1891 0.0000   -0.4095 0.0166 0.0000
C2 -1.1608 0.2407 0.0000   0.8877 -0.7857 0.0000
F3 0.8382 1.4311 0.0000   -1.4385 -0.8253 0.0000
F4 0.8382 -0.4284 1.0698   -0.5145 0.7883 1.0698
F5 0.8382 -0.4284 -1.0698   -0.5145 0.7883 -1.0698
F6 -1.6506 -1.0288 0.0000   1.9436 0.0725 0.0000
H7 -1.4961 0.7558 0.8908   0.9226 -1.3994 0.8908
H8 -1.4961 0.7558 -0.8908   0.9226 -1.3994 -0.8908
Atom - Atom Distances (Å)
  C1 C2 F3 F4 F5 F6 H7 H8
C1 1.5253 1.3295 1.3232 1.3232 2.3537 2.1385 2.1385
C2 1.5253 2.3266 2.3639 2.3639 1.3606 1.0823 1.0823
F3 1.3295 2.3266 2.1452 2.1452 3.4992 2.5881 2.5881
F4 1.3232 2.3639 2.1452 2.1396 2.7747 2.6236 3.2703
F5 1.3232 2.3639 2.1452 2.1396 2.7747 3.2703 2.6236
F6 2.3537 1.3606 3.4992 2.7747 2.7747 2.0005 2.0005
H7 2.1385 1.0823 2.5881 2.6236 3.2703 2.0005 1.7816
H8 2.1385 1.0823 2.5881 3.2703 2.6236 2.0005 1.7816
Maximum atom distance is 3.4992Å 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 109.158 C2 C1 F3 108.975
C2 C1 F4 111.977 C2 C1 F5 111.977
F3 C1 F4 107.931 F3 C1 F5 107.931
F4 C1 F5 107.893
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 109.007 C1 C2 H8 109.007
F6 C2 H7 109.426 F6 C2 H8 109.426
H7 C2 H8 110.791

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