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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/cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3585 0.1915 0.0000   -0.4062 0.0126 0.0000
C2 -1.1442 0.2387 0.0000   0.8732 -0.7770 0.0000
F3 0.8304 1.4435 0.0000   -1.4392 -0.8379 0.0000
F4 0.8304 -0.4326 1.0773   -0.5045 0.7888 1.0773
F5 0.8304 -0.4326 -1.0773   -0.5045 0.7888 -1.0773
F6 -1.6404 -1.0343 0.0000   1.9376 0.0795 0.0000
H7 -1.4714 0.7615 0.8901   0.8964 -1.3933 0.8901
H8 -1.4714 0.7615 -0.8901   0.8964 -1.3933 -0.8901
Atom - Atom Distances (Å)
  C1 C2 F3 F4 F5 F6 H7 H8
C1 1.5034 1.3380 1.3314 1.3314 2.3448 2.1132 2.1132
C2 1.5034 2.3131 2.3474 2.3474 1.3663 1.0829 1.0829
F3 1.3380 2.3131 2.1633 2.1633 3.4992 2.5604 2.5604
F4 1.3314 2.3474 2.1633 2.1546 2.7618 2.5998 3.2549
F5 1.3314 2.3474 2.1633 2.1546 2.7618 3.2549 2.5998
F6 2.3448 1.3663 3.4992 2.7618 2.7618 2.0114 2.0114
H7 2.1132 1.0829 2.5604 2.5998 3.2549 2.0114 1.7803
H8 2.1132 1.0829 2.5604 3.2549 2.5998 2.0114 1.7803
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 109.495 C2 C1 F3 108.854
C2 C1 F4 111.654 C2 C1 F5 111.654
F3 C1 F4 108.273 F3 C1 F5 108.273
F4 C1 F5 108.022
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 108.491 C1 C2 H8 108.491
F6 C2 H7 109.882 F6 C2 H8 109.882
H7 C2 H8 110.566

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