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Geometry for CHClCH3 (1-chloroethyl radical) 2A C1

1910171554
InChI=1S/C2H4Cl/c1-2-3/h2H,1H3 INChIKey=JSICDMRDIHNAKT-UHFFFAOYSA-N

B3PW91/3-21G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.4485 0.6031 -0.0480   0.4599 0.5954 -0.0343
C2 1.6535 -0.2677 0.0061   1.6481 -0.2990 0.0029
Cl3 -1.1172 -0.1291 0.0040   -1.1194 -0.1080 -0.0005
H4 0.4629 1.6715 0.1210   0.4942 1.6595 0.1577
H5 1.6040 -1.0598 -0.7529   1.5851 -1.0736 -0.7730
H6 2.5536 0.3315 -0.1722   2.5597 0.2867 -0.1611
H7 1.7604 -0.7609 0.9866   1.7438 -0.8151 0.9727
Atom - Atom Distances (Å)
  C1 C2 Cl3 H4 H5 H6 H7
C1 1.4877 1.7292 1.0817 2.1442 2.1262 2.1569
C2 1.4877 2.7741 2.2784 1.0982 1.0959 1.1027
Cl3 1.7292 2.7741 2.3985 2.9739 3.7037 3.1056
H4 1.0817 2.2784 2.3985 3.0864 2.5005 2.8895
H5 2.1442 1.0982 2.9739 3.0864 1.7818 1.7718
H6 2.1262 1.0959 3.7037 2.5005 1.7818 1.7791
H7 2.1569 1.1027 3.1056 2.8895 1.7718 1.7791
Maximum atom distance is 3.7037Å between atoms Cl3 and H6.
picture of 1-chloroethyl radical
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 Cl3 118.972
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 111.135 C1 C2 H6 109.832
C1 C2 H7 111.880 C2 C1 H4 124.166
H5 C2 H6 108.600 H5 C2 H7 107.233
H6 C2 H7 108.037

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