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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

CID/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3541 0.1952 0.0000   -0.4043 0.0037 0.0000
C2 -1.1494 0.2368 0.0000   0.8852 -0.7704 0.0000
F3 0.8271 1.4450 0.0000   -1.4297 -0.8532 0.0000
F4 0.8271 -0.4269 1.0758   -0.5111 0.7778 1.0758
F5 0.8271 -0.4269 -1.0758   -0.5111 0.7778 -1.0758
F6 -1.6198 -1.0467 0.0000   1.9250 0.1171 0.0000
H7 -1.4905 0.7537 0.8908   0.9288 -1.3881 0.8908
H8 -1.4905 0.7537 -0.8908   0.9288 -1.3881 -0.8908
Atom - Atom Distances (Å)
  C1 C2 F3 F4 F5 F6 H7 H8
C1 1.5040 1.3363 1.3297 1.3297 2.3321 2.1232 2.1232
C2 1.5040 2.3164 2.3461 2.3461 1.3671 1.0849 1.0849
F3 1.3363 2.3164 2.1590 2.1590 3.4923 2.5773 2.5773
F4 1.3297 2.3461 2.1590 2.1516 2.7439 2.6075 3.2607
F5 1.3297 2.3461 2.1590 2.1516 2.7439 3.2607 2.6075
F6 2.3321 1.3671 3.4923 2.7439 2.7439 2.0129 2.0129
H7 2.1232 1.0849 2.5773 2.6075 3.2607 2.0129 1.7816
H8 2.1232 1.0849 2.5773 3.2607 2.6075 2.0129 1.7816
Maximum atom distance is 3.4923Å 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 108.544 C2 C1 F3 109.143
C2 C1 F4 111.623 C2 C1 F5 111.623
F3 C1 F4 108.161 F3 C1 F5 108.161
F4 C1 F5 108.009
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 109.115 C1 C2 H8 109.115
F6 C2 H7 109.821 F6 C2 H8 109.821
H7 C2 H8 110.390

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