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Geometry for CHF2CH2F (Ethane, 1,1,2-trifluoro) 1A C1

1910171554
InChI=1S/C2H3F3/c3-1-2(4)5/h2H,1H2 INChIKey=WGZYQOSEVSXDNI-UHFFFAOYSA-N

HSEh1PBE/3-21G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.7547 -0.5878 -0.3068   0.7757 -0.5589 -0.3084
C2 0.4617 0.0264 0.3348   -0.4673 0.0055 0.3280
F3 -1.9018 0.0824 0.1597   1.8960 0.1320 0.1916
F4 1.5474 -0.7760 0.0035   -1.5246 -0.8190 -0.0390
F5 0.6713 1.2949 -0.1805   -0.7051 1.2795 -0.1609
H6 -0.6601 -0.4884 -1.3916   0.6947 -0.4366 -1.3920
H7 -0.7918 -1.6466 -0.0406   0.8388 -1.6223 -0.0663
H8 0.3573 0.0905 1.4192   -0.3812 0.0468 1.4151
Atom - Atom Distances (Å)
  C1 C2 F3 F4 F5 H6 H7 H8
C1 1.5062 1.4080 2.3305 2.3652 1.0935 1.0924 2.1623
C2 1.5062 2.3707 1.3901 1.3851 2.1223 2.1240 1.0913
F3 1.4080 2.3707 3.5578 2.8647 2.0674 2.0644 2.5865
F4 2.3305 1.3901 3.5578 2.2561 2.6272 2.4963 2.0423
F5 2.3652 1.3851 2.8647 2.2561 2.5337 3.2883 2.0269
H6 1.0935 2.1223 2.0674 2.6272 2.5337 1.7844 3.0448
H7 1.0924 2.1240 2.0644 2.4963 3.2883 1.7844 2.5434
H8 2.1623 1.0913 2.5865 2.0423 2.0269 3.0448 2.5434
Maximum atom distance is 3.5578Å between atoms F3 and F4.
picture of Ethane, 1,1,2-trifluoro
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 F4 107.089 C1 C2 F5 109.706
C2 C1 F3 108.828 F4 C2 F5 108.774
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 111.711 C2 C1 H6 108.398
C2 C1 H7 108.595 F3 C1 H6 110.849
F3 C1 H7 110.671 F4 C2 H8 110.208
F5 C2 H8 109.293 H6 C1 H7 109.437

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