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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

PBE1PBE/6-31+G**


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.7750 -0.5847 -0.2883   0.7958 -0.5553 -0.2898
C2 0.4653 0.0205 0.3282   -0.4705 -0.0006 0.3213
F3 -1.8830 0.1105 0.1543   1.8765 0.1605 0.1860
F4 1.5287 -0.7678 -0.0054   -1.5056 -0.8107 -0.0470
F5 0.6907 1.2598 -0.1822   -0.7241 1.2436 -0.1635
H6 -0.7186 -0.5127 -1.3787   0.7535 -0.4591 -1.3789
H7 -0.8678 -1.6302 0.0204   0.9141 -1.6048 -0.0041
H8 0.4171 0.1055 1.4184   -0.4410 0.0599 1.4139
Atom - Atom Distances (Å)
  C1 C2 F3 F4 F5 H6 H7 H8
C1 1.5115 1.3808 2.3282 2.3584 1.0942 1.0941 2.1933
C2 1.5115 2.3564 1.3651 1.3591 2.1446 2.1440 1.0946
F3 1.3808 2.3564 3.5265 2.8387 2.0234 2.0196 2.6246
F4 2.3282 1.3651 3.5265 2.2010 2.6460 2.5470 2.0064
F5 2.3584 1.3591 2.8387 2.2010 2.5612 3.2897 1.9923
H6 1.0942 2.1446 2.0234 2.6460 2.5612 1.7969 3.0815
H7 1.0941 2.1440 2.0196 2.5470 3.2897 1.7969 2.5726
H8 2.1933 1.0946 2.6246 2.0064 1.9923 3.0815 2.5726
Maximum atom distance is 3.5265Å 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 107.959 C1 C2 F5 110.367
C2 C1 F3 109.032 F4 C2 F5 107.794
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 113.655 C2 C1 H6 109.742
C2 C1 H7 109.698 F3 C1 H6 109.127
F3 C1 H7 108.821 F4 C2 H8 108.815
F5 C2 H8 108.089 H6 C1 H7 110.393

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