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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

PBEPBE/STO-3G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.7867 -0.6065 0.0000   -0.9724 -0.2032 0.0000
C2 0.0000 0.5340 0.0000   0.2326 0.4807 0.0000
F3 -2.1656 -0.5538 0.0000   -2.1906 0.4449 0.0000
F4 -0.2802 -1.8836 0.0000   -1.0727 -1.5734 0.0000
F5 -0.4778 1.8121 0.0000   0.3593 1.8393 0.0000
Cl6 1.8254 0.3566 0.0000   1.7985 -0.4742 0.0000
Atom - Atom Distances (Å)
  C1 C2 F3 F4 F5 Cl6
C1 1.3855 1.3798 1.3739 2.4383 2.7840
C2 1.3855 2.4234 2.4337 1.3645 1.8340
F3 1.3798 2.4234 2.3072 2.9062 4.0935
F4 1.3739 2.4337 2.3072 3.7010 3.0744
F5 2.4383 1.3645 2.9062 3.7010 2.7246
Cl6 2.7840 1.8340 4.0935 3.0744 2.7246
Maximum atom distance is 4.0935Å 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 124.905 C1 C2 Cl6 119.049
C2 C1 F3 122.411 C2 C1 F4 123.763
F3 C1 F4 113.825 F5 C2 Cl6 116.046

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