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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

PBEPBE/3-21G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Cl1 -0.9834 0.9909 0.0000   1.3954 0.0000 -0.0428
C2 0.6356 -0.0553 0.0000   -0.4742 0.0000 0.4269
C3 0.6356 -0.8861 1.2796   -1.0815 1.2796 -0.1399
C4 0.6356 -0.8861 -1.2796   -1.0815 -1.2796 -0.1399
H5 1.4247 0.7113 0.0000   -0.4521 0.0000 1.5269
H6 1.5726 -1.4730 1.3293   -2.1499 1.3293 0.1447
H7 1.5726 -1.4730 -1.3293   -2.1499 -1.3293 0.1447
H8 0.5734 -0.2411 2.1705   -0.5675 2.1705 0.2546
H9 0.5734 -0.2411 -2.1705   -0.5675 -2.1705 0.2546
H10 -0.2201 -1.5816 1.2791   -1.0061 1.2791 -1.2401
H11 -0.2201 -1.5816 -1.2791   -1.0061 -1.2791 -1.2401
Atom - Atom Distances (Å)
  Cl1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11
Cl1 1.9277 2.7896 2.7896 2.4243 3.7909 3.7909 2.9415 2.9415 2.9726 2.9726
C2 1.9277 1.5256 1.5256 1.1002 2.1575 2.1575 2.1793 2.1793 2.1675 2.1675
C3 2.7896 1.5256 2.5592 2.1936 1.1067 2.8336 1.1016 3.5105 1.1028 2.7862
C4 2.7896 1.5256 2.5592 2.1936 2.8336 1.1067 3.5105 1.1016 2.7862 1.1028
H5 2.4243 1.1002 2.1936 2.1936 2.5613 2.5613 2.5186 2.5186 3.0983 3.0983
H6 3.7909 2.1575 1.1067 2.8336 2.5613 2.6587 1.7954 3.8425 1.7968 3.1670
H7 3.7909 2.1575 2.8336 1.1067 2.5613 2.6587 3.8425 1.7954 3.1670 1.7968
H8 2.9415 2.1793 1.1016 3.5105 2.5186 1.7954 3.8425 4.3410 1.7948 3.7850
H9 2.9415 2.1793 3.5105 1.1016 2.5186 3.8425 1.7954 4.3410 3.7850 1.7948
H10 2.9726 2.1675 1.1028 2.7862 3.0983 1.7968 3.1670 1.7948 3.7850 2.5582
H11 2.9726 2.1675 2.7862 1.1028 3.0983 3.1670 1.7968 3.7850 1.7948 2.5582
Maximum atom distance is 4.3410Å 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 107.190 Cl1 C2 C4 107.190
C3 C2 C4 114.015
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Cl1 C3 H5 56.715 C2 C3 H6 109.053
C2 C3 H8 111.070 C2 C3 H10 110.062
C2 C4 H7 109.053 C2 C4 H9 111.070
C2 C4 H11 110.062 C3 C2 H5 112.300
C4 C2 H5 112.300 H6 C3 H8 108.783
H6 C3 H10 108.818 H7 C4 H9 108.783
H7 C4 H11 108.818 H8 C3 H10 109.013
H9 C4 H11 109.013

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