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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/6-31+G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3547 0.1945 0.0000   -0.4042 0.0147 0.0000
C2 -1.1549 0.2448 0.0000   0.8662 -0.8021 0.0000
F3 0.8376 1.4634 0.0000   -1.4692 -0.8274 0.0000
F4 0.8376 -0.4357 1.0905   -0.4960 0.8033 1.0905
F5 0.8376 -0.4357 -1.0905   -0.4960 0.8033 -1.0905
F6 -1.6476 -1.0531 0.0000   1.9544 0.0600 0.0000
H7 -1.4931 0.7566 0.8969   0.8944 -1.4149 0.8969
H8 -1.4931 0.7566 -0.8969   0.8944 -1.4149 -0.8969
Atom - Atom Distances (Å)
  C1 C2 F3 F4 F5 F6 H7 H8
C1 1.5104 1.3577 1.3489 1.3489 2.3591 2.1294 2.1294
C2 1.5104 2.3356 2.3711 2.3711 1.3883 1.0866 1.0866
F3 1.3577 2.3356 2.1899 2.1899 3.5367 2.5954 2.5954
F4 1.3489 2.3711 2.1899 2.1811 2.7833 2.6251 3.2869
F5 1.3489 2.3711 2.1899 2.1811 2.7833 3.2869 2.6251
F6 2.3591 1.3883 3.5367 2.7833 2.7833 2.0256 2.0256
H7 2.1294 1.0866 2.5954 2.6251 3.2869 2.0256 1.7937
H8 2.1294 1.0866 2.5954 3.2869 2.6251 2.0256 1.7937
Maximum atom distance is 3.5367Å 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 108.877 C2 C1 F3 108.928
C2 C1 F4 111.925 C2 C1 F5 111.925
F3 C1 F4 108.013 F3 C1 F5 108.013
F4 C1 F5 107.888
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 109.074 C1 C2 H8 109.074
F6 C2 H7 109.263 F6 C2 H8 109.263
H7 C2 H8 111.254

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