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Geometry for C2ClF3 (Ethene, chlorotrifluoro-) 1A' CS

1910171554
InChI=1S/C2ClF3/c3-1(4)2(5)6 INChIKey=UUAGAQFQZIEFAH-UHFFFAOYSA-N

HF/6-31G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.7051 -0.6430 0.0000   -0.9346 -0.1927 0.0000
C2 0.0000 0.4538 0.0000   0.2318 0.3901 0.0000
F3 -2.0424 -0.6730 0.0000   -2.0996 0.4646 0.0000
F4 -0.1741 -1.8708 0.0000   -1.1052 -1.5194 0.0000
F5 -0.6209 1.6560 0.0000   0.3120 1.7409 0.0000
Cl6 1.7510 0.5368 0.0000   1.7796 -0.4329 0.0000
Atom - Atom Distances (Å)
  C1 C2 F3 F4 F5 Cl6
C1 1.3039 1.3376 1.3377 2.3006 2.7248
C2 1.3039 2.3326 2.3311 1.3531 1.7530
F3 1.3376 2.3326 2.2193 2.7285 3.9817
F4 1.3377 2.3311 2.2193 3.5550 3.0827
F5 2.3006 1.3531 2.7285 3.5550 2.6228
Cl6 2.7248 1.7530 3.9817 3.0827 2.6228
Maximum atom distance is 3.9817Å between atoms F3 and Cl6.
picture of Ethene, chlorotrifluoro-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 F5 119.948 C1 C2 Cl6 125.452
C2 C1 F3 124.021 C2 C1 F4 123.874
F3 C1 F4 112.105 F5 C2 Cl6 114.600

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