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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/CEP-121G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3603 0.1922 0.0000   -0.4080 0.0181 0.0000
C2 -1.1676 0.2486 0.0000   0.8783 -0.8085 0.0000
F3 0.8467 1.4635 0.0000   -1.4740 -0.8284 0.0000
F4 0.8467 -0.4386 1.0931   -0.5054 0.8086 1.0931
F5 0.8467 -0.4386 -1.0931   -0.5054 0.8086 -1.0931
F6 -1.6681 -1.0502 0.0000   1.9704 0.0544 0.0000
H7 -1.5021 0.7648 0.9028   0.9033 -1.4231 0.9028
H8 -1.5021 0.7648 -0.9028   0.9033 -1.4231 -0.9028
Atom - Atom Distances (Å)
  C1 C2 F3 F4 F5 F6 H7 H8
C1 1.5290 1.3612 1.3525 1.3525 2.3787 2.1474 2.1474
C2 1.5290 2.3523 2.3926 2.3926 1.3919 1.0924 1.0924
F3 1.3612 2.3523 2.1939 2.1939 3.5557 2.6115 2.6115
F4 1.3525 2.3926 2.1939 2.1862 2.8095 2.6459 3.3088
F5 1.3525 2.3926 2.1939 2.1862 2.8095 3.3088 2.6459
F6 2.3787 1.3919 3.5557 2.8095 2.8095 2.0338 2.0338
H7 2.1474 1.0924 2.6115 2.6459 3.3088 2.0338 1.8056
H8 2.1474 1.0924 2.6115 3.3088 2.6459 2.0338 1.8056
Maximum atom distance is 3.5557Å 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 108.962 C2 C1 F3 108.819
C2 C1 F4 112.121 C2 C1 F5 112.121
F3 C1 F4 107.885 F3 C1 F5 107.885
F4 C1 F5 107.840
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 108.870 C1 C2 H8 108.870
F6 C2 H7 109.315 F6 C2 H8 109.315
H7 C2 H8 111.469

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