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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

HSEh1PBE/6-31+G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3602 0.1892 0.0000   0.4066 -0.0118 0.0000
C2 -1.1544 0.2436 0.0000   -0.8865 0.7785 0.0000
F3 0.8407 1.4483 0.0000   1.4429 0.8498 0.0000
F4 0.8407 -0.4371 1.0827   0.5182 -0.7932 1.0827
F5 0.8407 -0.4371 -1.0827   0.5182 -0.7932 -1.0827
F6 -1.6614 -1.0333 0.0000   -1.9546 -0.0856 0.0000
H7 -1.4898 0.7678 0.8989   -0.9218 1.3998 0.8989
H8 -1.4898 0.7678 -0.8989   -0.9218 1.3998 -0.8989
Atom - Atom Distances (Å)
  C1 C2 F3 F4 F5 F6 H7 H8
C1 1.5155 1.3477 1.3399 1.3399 2.3624 2.1366 2.1366
C2 1.5155 2.3305 2.3698 2.3698 1.3739 1.0932 1.0932
F3 1.3477 2.3305 2.1741 2.1741 3.5240 2.5889 2.5889
F4 1.3399 2.3698 2.1741 2.1654 2.7907 2.6300 3.2878
F5 1.3399 2.3698 2.1741 2.1654 2.7907 3.2878 2.6300
F6 2.3624 1.3739 3.5240 2.7907 2.7907 2.0202 2.0202
H7 2.1366 1.0932 2.5889 2.6300 3.2878 2.0202 1.7977
H8 2.1366 1.0932 2.5889 3.2878 2.6300 2.0202 1.7977
Maximum atom distance is 3.5240Å 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 109.597 C2 C1 F3 108.828
C2 C1 F4 112.036 C2 C1 F5 112.036
F3 C1 F4 107.988 F3 C1 F5 107.988
F4 C1 F5 107.811
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 108.898 C1 C2 H8 108.898
F6 C2 H7 109.410 F6 C2 H8 109.410
H7 C2 H8 110.611

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