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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

B3LYP/LANL2DZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.7140 -0.6549 0.0000   -0.9498 -0.1916 0.0000
C2 0.0000 0.4757 0.0000   0.2458 0.4072 0.0000
F3 -2.0800 -0.6914 0.0000   -2.1380 0.4832 0.0000
F4 -0.1666 -1.9060 0.0000   -1.1277 -1.5456 0.0000
F5 -0.6231 1.7053 0.0000   0.3480 1.7819 0.0000
Cl6 1.7712 0.5356 0.0000   1.7931 -0.4570 0.0000
Atom - Atom Distances (Å)
  C1 C2 F3 F4 F5 Cl6
C1 1.3372 1.3665 1.3656 2.3620 2.7557
C2 1.3372 2.3851 2.3875 1.3785 1.7723
F3 1.3665 2.3851 2.2664 2.8048 4.0420
F4 1.3656 2.3875 2.2664 3.6400 3.1171
F5 2.3620 1.3785 2.8048 3.6400 2.6648
Cl6 2.7557 1.7723 4.0420 3.1171 2.6648
Maximum atom distance is 4.0420Å 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 120.854 C1 C2 Cl6 124.212
C2 C1 F3 123.804 C2 C1 F4 124.090
F3 C1 F4 112.106 F5 C2 Cl6 114.934

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