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Geometry for CH2FCH2Cl (Ethane, 1-chloro-2-fluoro-) 1A' CS

1910171554
InChI=1S/C2H4ClF/c3-1-2-4/h1-2H2 INChIKey=VEZJSKSPVQQGIS-UHFFFAOYSA-N

CID/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.6032 0.0000   0.0019 -0.6032 0.0000
C2 0.9884 -0.5410 0.0000   -0.9901 0.5379 0.0000
Cl3 -1.6622 -0.0332 0.0000   1.6621 0.0383 0.0000
F4 2.2576 0.0082 0.0000   -2.2576 -0.0151 0.0000
H5 0.1287 1.2178 0.8848   -0.1249 -1.2182 0.8848
H6 0.1287 1.2178 -0.8848   -0.1249 -1.2182 -0.8848
H7 0.8755 -1.1589 0.8881   -0.8791 1.1562 0.8881
H8 0.8755 -1.1589 -0.8881   -0.8791 1.1562 -0.8881
Atom - Atom Distances (Å)
  C1 C2 Cl3 F4 H5 H6 H7 H8
C1 1.5120 1.7799 2.3347 1.0850 1.0850 2.1588 2.1588
C2 1.5120 2.6989 1.3829 2.1483 2.1483 1.0878 1.0878
Cl3 1.7799 2.6989 3.9201 2.3570 2.3570 2.9148 2.9148
F4 2.3347 1.3829 3.9201 2.6036 2.6036 2.0152 2.0152
H5 1.0850 2.1483 2.3570 2.6036 1.7695 2.4913 3.0577
H6 1.0850 2.1483 2.3570 2.6036 1.7695 3.0577 2.4913
H7 2.1588 1.0878 2.9148 2.0152 2.4913 3.0577 1.7761
H8 2.1588 1.0878 2.9148 2.0152 3.0577 2.4913 1.7761
Maximum atom distance is 3.9201Å between atoms Cl3 and F4.
picture of Ethane, 1-chloro-2-fluoro-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 F4 107.429 C2 C1 Cl3 109.874
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 111.224 C1 C2 H8 111.224
C2 C1 H5 110.558 C2 C1 H6 110.558
Cl3 C1 H5 108.259 Cl3 C1 H6 108.259
F4 C2 H7 108.716 F4 C2 H8 108.716
H5 C1 H6 109.270 H7 C2 H8 109.448

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