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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

mPW1PW91/6-31G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.4453 0.5962 -0.0637   0.4566 0.5892 -0.0455
C2 1.6484 -0.2636 0.0083   1.6431 -0.2949 0.0040
Cl3 -1.1136 -0.1283 0.0054   -1.1159 -0.1073 -0.0006
H4 0.4535 1.6548 0.1595   0.4843 1.6406 0.2083
H5 1.6005 -1.0800 -0.7201   1.5817 -1.0888 -0.7479
H6 2.5413 0.3328 -0.1991   2.5476 0.2902 -0.1843
H7 1.7745 -0.7222 1.0006   1.7579 -0.7843 0.9828
Atom - Atom Distances (Å)
  C1 C2 Cl3 H4 H5 H6 H7
C1 1.4805 1.7204 1.0820 2.1389 2.1168 2.1535
C2 1.4805 2.7653 2.2652 1.0951 1.0937 1.1004
Cl3 1.7204 2.7653 2.3789 2.9662 3.6895 3.1120
H4 1.0820 2.2652 2.3789 3.0933 2.4970 2.8465
H5 2.1389 1.0951 2.9662 3.0933 1.7755 1.7661
H6 2.1168 1.0937 3.6895 2.4970 1.7755 1.7721
H7 2.1535 1.1004 3.1120 2.8465 1.7661 1.7721
Maximum atom distance is 3.6895Å 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 119.330
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 111.410 C1 C2 H6 109.725
C1 C2 H7 112.273 C2 C1 H4 123.506
H5 C2 H6 108.424 H5 C2 H7 107.106
H6 C2 H7 107.746

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