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Geometry for CH3CHClCH3 (Propane, 2-chloro-) 1A' CS

1910171554
InChI=1S/C3H7Cl/c1-3(2)4/h3H,1-2H3 INChIKey=ULYZAYCEDJDHCC-UHFFFAOYSA-N

TPSSh/3-21G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Cl1 -0.9871 0.9834 0.0000   -0.6288 -0.7609 0.9834
C2 0.6386 -0.0505 0.0000   0.4068 0.4923 -0.0505
C3 0.6386 -0.8816 1.2788   1.3926 -0.3224 -0.8816
C4 0.6386 -0.8816 -1.2788   -0.5789 1.3069 -0.8816
H5 1.4148 0.7166 0.0000   0.9013 1.0906 0.7166
H6 1.5713 -1.4619 1.3282   2.0248 0.3651 -1.4619
H7 1.5713 -1.4619 -1.3282   -0.0228 2.0573 -1.4619
H8 0.5740 -0.2404 2.1633   2.0332 -0.9356 -0.2404
H9 0.5740 -0.2404 -2.1633   -1.3018 1.8206 -0.2404
H10 -0.2101 -1.5741 1.2760   0.8498 -0.9748 -1.5741
H11 -0.2101 -1.5741 -1.2760   -1.1174 0.6510 -1.5741
Atom - Atom Distances (Å)
  Cl1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11
Cl1 1.9266 2.7851 2.7851 2.4166 3.7800 3.7800 2.9350 2.9350 2.9619 2.9619
C2 1.9266 1.5252 1.5252 1.0913 2.1508 2.1508 2.1725 2.1725 2.1610 2.1610
C3 2.7851 1.5252 2.5577 2.1892 1.0995 2.8290 1.0943 3.5019 1.0953 2.7798
C4 2.7851 1.5252 2.5577 2.1892 2.8290 1.0995 3.5019 1.0943 2.7798 1.0953
H5 2.4166 1.0913 2.1892 2.1892 2.5562 2.5562 2.5105 2.5105 3.0848 3.0848
H6 3.7800 2.1508 1.0995 2.8290 2.5562 2.6564 1.7843 3.8310 1.7856 3.1572
H7 3.7800 2.1508 2.8290 1.0995 2.5562 2.6564 3.8310 1.7843 3.1572 1.7856
H8 2.9350 2.1725 1.0943 3.5019 2.5105 1.7843 3.8310 4.3265 1.7834 3.7712
H9 2.9350 2.1725 3.5019 1.0943 2.5105 3.8310 1.7843 4.3265 3.7712 1.7834
H10 2.9619 2.1610 1.0953 2.7798 3.0848 1.7856 3.1572 1.7834 3.7712 2.5521
H11 2.9619 2.1610 2.7798 1.0953 3.0848 3.1572 1.7856 3.7712 1.7834 2.5521
Maximum atom distance is 4.3265Å between atoms H8 and H9.
picture of Propane, 2-chloro-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Cl1 C2 C3 107.004 Cl1 C2 C4 107.004
C3 C2 C4 113.958
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Cl1 C3 H5 56.620 C2 C3 H6 108.977
C2 C3 H8 110.997 C2 C3 H10 110.020
C2 C4 H7 108.977 C2 C4 H9 110.997
C2 C4 H11 110.020 C3 C2 H5 112.523
C4 C2 H5 112.523 H6 C3 H8 108.845
H6 C3 H10 108.890 H7 C4 H9 108.845
H7 C4 H11 108.890 H8 C3 H10 109.074
H9 C4 H11 109.074

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