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Geometry for C2Cl4 (Tetrachloroethylene) 1Ag D2H

1910171554
InChI=1S/C2Cl4/c3-1(4)2(5)6 INChIKey=CYTYCFOTNPOANT-UHFFFAOYSA-N

MP3/6-31+G**


Point group is D2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.7008   0.7008 0.0000 0.0000
C2 0.0000 0.0000 -0.7008   -0.7008 0.0000 0.0000
Cl3 0.0000 1.3642 1.4966   1.4966 1.3642 0.0000
Cl4 0.0000 -1.3642 1.4966   1.4966 -1.3642 0.0000
Cl5 0.0000 -1.3642 -1.4966   -1.4966 -1.3642 0.0000
Cl6 0.0000 1.3642 -1.4966   -1.4966 1.3642 0.0000
Atom - Atom Distances (Å)
  C1 C2 Cl3 Cl4 Cl5 Cl6
C1 1.4015 1.5793 1.5793 2.5864 2.5864
C2 1.4015 2.5864 2.5864 1.5793 1.5793
Cl3 1.5793 2.5864 2.7283 4.0500 2.9932
Cl4 1.5793 2.5864 2.7283 2.9932 4.0500
Cl5 2.5864 1.5793 4.0500 2.9932 2.7283
Cl6 2.5864 1.5793 2.9932 4.0500 2.7283
Maximum atom distance is 4.0500Å between atoms Cl3 and Cl5.
picture of Tetrachloroethylene
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 Cl5 120.259 C1 C2 Cl6 120.259
C2 C1 Cl3 120.259 C2 C1 Cl4 120.259
Cl3 C1 Cl4 119.483 Cl5 C2 Cl6 119.483

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