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Geometry for C2HF3 (Trifluoroethylene) 1A' CS

1910171554
InChI=1S/C2HF3/c3-1-2(4)5/h1H INChIKey=MIZLGWKEZAPEFJ-UHFFFAOYSA-N

B97D3/6-31+G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.4354 0.0000   0.4346 -0.0263 0.0000
C2 -0.7060 -0.6997 0.0000   -0.7411 -0.6625 0.0000
F3 1.3287 0.5184 0.0000   0.5976 1.2950 0.0000
F4 -0.5792 1.6415 0.0000   1.6036 -0.6772 0.0000
F5 -0.0799 -1.9024 0.0000   -1.9037 0.0350 0.0000
H6 -1.7899 -0.7321 0.0000   -0.8388 -1.7425 0.0000
Atom - Atom Distances (Å)
  C1 C2 F3 F4 F5 H6
C1 1.3368 1.3313 1.3380 2.3391 2.1370
C2 1.3368 2.3715 2.3447 1.3558 1.0844
F3 1.3313 2.3715 2.2139 2.8007 3.3600
F4 1.3380 2.3447 2.2139 3.5789 2.6646
F5 2.3391 1.3558 2.8007 3.5789 2.0721
H6 2.1370 1.0844 3.3600 2.6646 2.0721
Maximum atom distance is 3.5789Å between atoms F4 and F5.
picture of Trifluoroethylene
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 F5 121.088 C2 C1 F3 124.720
C2 C1 F4 123.045 F3 C1 F4 112.236
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 123.984 F5 C2 H6 114.928

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