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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

B3PW91/6-31G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.6868 -0.6661 0.0000   -0.9376 -0.1903 0.0000
C2 0.0000 0.4730 0.0000   0.2552 0.3983 0.0000
F3 -2.0030 -0.7108 0.0000   -2.0699 0.4822 0.0000
F4 -0.1307 -1.8582 0.0000   -1.1126 -1.4940 0.0000
F5 -0.6361 1.6423 0.0000   0.3505 1.7259 0.0000
Cl6 1.7087 0.5588 0.0000   1.7401 -0.4515 0.0000
Atom - Atom Distances (Å)
  C1 C2 F3 F4 F5 Cl6
C1 1.3301 1.3170 1.3155 2.3089 2.6904
C2 1.3301 2.3267 2.3349 1.3311 1.7109
F3 1.3170 2.3267 2.1959 2.7213 3.9228
F4 1.3155 2.3349 2.1959 3.5368 3.0373
F5 2.3089 1.3311 2.7213 3.5368 2.5830
Cl6 2.6904 1.7109 3.9228 3.0373 2.5830
Maximum atom distance is 3.9228Å 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 120.367 C1 C2 Cl6 123.959
C2 C1 F3 123.034 C2 C1 F4 123.906
F3 C1 F4 113.060 F5 C2 Cl6 115.674

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