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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

CCD/6-31G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3501 0.1989 0.0000   -0.4026 0.0075 0.0000
C2 -1.1664 0.2585 0.0000   0.8713 -0.8175 0.0000
F3 0.8507 1.5057 0.0000   -1.4999 -0.8609 0.0000
F4 0.8507 -0.4485 1.1248   -0.5029 0.8198 1.1248
F5 0.8507 -0.4485 -1.1248   -0.5029 0.8198 -1.1248
F6 -1.6714 -1.0850 0.0000   1.9911 0.0805 0.0000
H7 -1.5148 0.7714 0.9035   0.9092 -1.4363 0.9035
H8 -1.5148 0.7714 -0.9035   0.9092 -1.4363 -0.9035
Atom - Atom Distances (Å)
  C1 C2 F3 F4 F5 F6 H7 H8
C1 1.5177 1.3994 1.3910 1.3910 2.3947 2.1498 2.1498
C2 1.5177 2.3716 2.4154 2.4154 1.4353 1.0957 1.0957
F3 1.3994 2.3716 2.2548 2.2548 3.6156 2.6365 2.6365
F4 1.3910 2.4154 2.2548 2.2495 2.8340 2.6707 3.3463
F5 1.3910 2.4154 2.2548 2.2495 2.8340 3.3463 2.6707
F6 2.3947 1.4353 3.6156 2.8340 2.8340 2.0705 2.0705
H7 2.1498 1.0957 2.6365 2.6707 3.3463 2.0705 1.8070
H8 2.1498 1.0957 2.6365 3.3463 2.6707 2.0705 1.8070
Maximum atom distance is 3.6156Å 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 108.345 C2 C1 F3 108.711
C2 C1 F4 112.206 C2 C1 F5 112.206
F3 C1 F4 107.809 F3 C1 F5 107.809
F4 C1 F5 107.918
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 109.636 C1 C2 H8 109.636
F6 C2 H7 109.044 F6 C2 H8 109.044
H7 C2 H8 111.085

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