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Geometry for CF2ClCFCl2 (Ethane, 1,1,2-trichloro-1,2,2-trifluoro-) 1A C1

1910171554
InChI=1S/C2Cl3F3/c3-1(4,6)2(5,7)8 INChIKey=AJDIZQLSFPQPEY-UHFFFAOYSA-N

MP2/3-21G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.5658 0.1479 0.3141   -0.5642 0.1520 0.3150
C2 -0.7198 -0.5034 -0.2670   0.7165 -0.5081 -0.2669
F3 0.4006 0.2534 1.6926   -0.3949 0.2618 1.6927
Cl4 1.9598 -0.9022 -0.0276   -1.9646 -0.8920 -0.0193
Cl5 0.8027 1.7559 -0.3890   -0.7945 1.7586 -0.3935
Cl6 -2.1636 0.3555 0.2860   2.1661 0.3452 0.2792
F7 -0.6486 -0.4870 -1.6413   0.6418 -0.4965 -1.6411
F8 -0.7806 -1.8135 0.1641   0.7715 -1.8170 0.1689
Atom - Atom Distances (Å)
  C1 C2 F3 Cl4 Cl5 Cl6 F7 F8
C1 1.5539 1.3924 1.7785 1.7709 2.7374 2.3877 2.3838
C2 1.5539 2.3808 2.7198 2.7272 1.7686 1.3763 1.3806
F3 1.3924 2.3808 2.5934 2.5986 2.9264 3.5727 2.8291
Cl4 1.7785 2.7198 2.5934 2.9215 4.3224 3.0952 2.8944
Cl5 1.7709 2.7272 2.5986 2.9215 3.3490 2.9504 3.9438
Cl6 2.7374 1.7686 2.9264 4.3224 3.3490 2.5923 2.5753
F7 2.3877 1.3763 3.5727 3.0952 2.9504 2.5923 2.2442
F8 2.3838 1.3806 2.8291 2.8944 3.9438 2.5753 2.2442
Maximum atom distance is 4.3224Å between atoms Cl4 and Cl6.
picture of Ethane, 1,1,2-trichloro-1,2,2-trifluoro-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 Cl6 110.788 C1 C2 F7 109.001
C1 C2 F8 108.505 C2 C1 F3 107.687
C2 C1 Cl4 109.221 C2 C1 Cl5 110.047
F3 C1 Cl4 109.145 F3 C1 Cl5 109.887
Cl4 C1 Cl5 110.791 Cl6 C2 F7 110.410
Cl6 C2 F8 109.105 F7 C2 F8 108.988

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