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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

MP2/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.6048 0.0000   0.0183 -0.6045 0.0000
C2 0.9837 -0.5461 0.0000   -0.9998 0.5161 0.0000
Cl3 -1.6651 -0.0291 0.0000   1.6634 0.0795 0.0000
F4 2.2670 0.0036 0.0000   -2.2658 -0.0723 0.0000
H5 0.1347 1.2205 0.8892   -0.0977 -1.2240 0.8892
H6 0.1347 1.2205 -0.8892   -0.0977 -1.2240 -0.8892
H7 0.8659 -1.1657 0.8925   -0.9008 1.1390 0.8925
H8 0.8659 -1.1657 -0.8925   -0.9008 1.1390 -0.8925
Atom - Atom Distances (Å)
  C1 C2 Cl3 F4 H5 H6 H7 H8
C1 1.5140 1.7816 2.3453 1.0899 1.0899 2.1636 2.1636
C2 1.5140 2.6988 1.3960 2.1523 2.1523 1.0929 1.0929
Cl3 1.7816 2.6988 3.9322 2.3646 2.3646 2.9145 2.9145
F4 2.3453 1.3960 3.9322 2.6111 2.6111 2.0314 2.0314
H5 1.0899 2.1523 2.3646 2.6111 1.7784 2.4958 3.0665
H6 1.0899 2.1523 2.3646 2.6111 1.7784 3.0665 2.4958
H7 2.1636 1.0929 2.9145 2.0314 2.4958 3.0665 1.7850
H8 2.1636 1.0929 2.9145 2.0314 3.0665 2.4958 1.7850
Maximum atom distance is 3.9322Å 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 107.331 C2 C1 Cl3 109.679
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 111.159 C1 C2 H8 111.159
C2 C1 H5 110.434 C2 C1 H6 110.434
Cl3 C1 H5 108.450 Cl3 C1 H6 108.450
F4 C2 H7 108.803 F4 C2 H8 108.803
H5 C1 H6 109.343 H7 C2 H8 109.506

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