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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 -0.6852 -0.6529 0.0000   -0.9279 -0.1863 0.0000
C2 0.0000 0.4586 0.0000   0.2448 0.3878 0.0000
F3 -1.9822 -0.6937 0.0000   -2.0465 0.4716 0.0000
F4 -0.1539 -1.8360 0.0000   -1.1102 -1.4703 0.0000
F5 -0.6216 1.6193 0.0000   0.3388 1.7011 0.0000
Cl6 1.7018 0.5506 0.0000   1.7330 -0.4429 0.0000
Atom - Atom Distances (Å)
  C1 C2 F3 F4 F5 Cl6
C1 1.3057 1.2977 1.2969 2.2731 2.6732
C2 1.3057 2.2928 2.2997 1.3167 1.7043
F3 1.2977 2.2928 2.1559 2.6835 3.8885
F4 1.2969 2.2997 2.1559 3.4868 3.0231
F5 2.2731 1.3167 2.6835 3.4868 2.5575
Cl6 2.6732 1.7043 3.8885 3.0231 2.5575
Maximum atom distance is 3.8885Å 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 120.175 C1 C2 Cl6 124.746
C2 C1 F3 123.453 C2 C1 F4 124.163
F3 C1 F4 112.384 F5 C2 Cl6 115.078

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