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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

QCISD/6-31G(2df,p)


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.6158 0.0000   -0.0172 0.6156 0.0000
C2 0.9935 -0.5326 0.0000   1.0080 -0.5047 0.0000
Cl3 -1.6626 -0.0417 0.0000   -1.6608 -0.0881 0.0000
F4 2.2590 0.0058 0.0000   2.2579 0.0689 0.0000
H5 0.1186 1.2319 0.8897   0.0842 1.2348 0.8897
H6 0.1186 1.2319 -0.8897   0.0842 1.2348 -0.8897
H7 0.8677 -1.1530 0.8907   0.8995 -1.1283 0.8907
H8 0.8677 -1.1530 -0.8907   0.8995 -1.1283 -0.8907
Atom - Atom Distances (Å)
  C1 C2 Cl3 F4 H5 H6 H7 H8
C1 1.5186 1.7879 2.3399 1.0887 1.0887 2.1622 2.1622
C2 1.5186 2.7011 1.3752 2.1612 2.1612 1.0927 1.0927
Cl3 1.7879 2.7011 3.9219 2.3636 2.3636 2.9036 2.9036
F4 2.3399 1.3752 3.9219 2.6222 2.6222 2.0179 2.0179
H5 1.0887 2.1612 2.3636 2.6222 1.7794 2.4998 3.0690
H6 1.0887 2.1612 2.3636 2.6222 1.7794 3.0690 2.4998
H7 2.1622 1.0927 2.9036 2.0179 2.4998 3.0690 1.7814
H8 2.1622 1.0927 2.9036 2.0179 3.0690 2.4998 1.7814
Maximum atom distance is 3.9219Å 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 107.812 C2 C1 Cl3 109.285
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 110.732 C1 C2 H8 110.732
C2 C1 H5 110.900 C2 C1 H6 110.900
Cl3 C1 H5 108.024 Cl3 C1 H6 108.024
F4 C2 H7 109.163 F4 C2 H8 109.163
H5 C1 H6 109.616 H7 C2 H8 109.201

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