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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

HF/CEP-121G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3507 0.1926 0.0000   -0.4001 0.0014 0.0000
C2 -1.1715 0.2545 0.0000   0.9016 -0.7902 0.0000
F3 0.8517 1.4729 0.0000   -1.4585 -0.8760 0.0000
F4 0.8517 -0.4402 1.1023   -0.5319 0.7976 1.1023
F5 0.8517 -0.4402 -1.1023   -0.5319 0.7976 -1.1023
F6 -1.6718 -1.0586 0.0000   1.9754 0.1163 0.0000
H7 -1.5120 0.7561 0.8923   0.9565 -1.3938 0.8923
H8 -1.5120 0.7561 -0.8923   0.9565 -1.3938 -0.8923
Atom - Atom Distances (Å)
  C1 C2 F3 F4 F5 F6 H7 H8
C1 1.5235 1.3748 1.3661 1.3661 2.3783 2.1409 2.1409
C2 1.5235 2.3617 2.4065 2.4065 1.4052 1.0787 1.0787
F3 1.3748 2.3617 2.2079 2.2079 3.5744 2.6262 2.6262
F4 1.3661 2.4065 2.2079 2.2046 2.8223 2.6574 3.3160
F5 1.3661 2.4065 2.2079 2.2046 2.8223 3.3160 2.6574
F6 2.3783 1.4052 3.5744 2.8223 2.8223 2.0285 2.0285
H7 2.1409 1.0787 2.6262 2.6574 3.3160 2.0285 1.7845
H8 2.1409 1.0787 2.6262 3.3160 2.6574 2.0285 1.7845
Maximum atom distance is 3.5744Å 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 108.523 C2 C1 F3 109.036
C2 C1 F4 112.658 C2 C1 F5 112.658
F3 C1 F4 107.320 F3 C1 F5 107.320
F4 C1 F5 107.581
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 109.526 C1 C2 H8 109.526
F6 C2 H7 108.793 F6 C2 H8 108.793
H7 C2 H8 111.619

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