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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

wB97X-D/TZVP


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Cl1 -0.8912 1.0241 0.0000   -0.5597 -0.6935 1.0241
C2 0.5706 -0.0724 0.0000   0.3584 0.4440 -0.0724
C3 0.5706 -0.9053 1.2656   1.3432 -0.3508 -0.9053
C4 0.5706 -0.9053 -1.2656   -0.6264 1.2389 -0.9053
H5 1.4157 0.6140 0.0000   0.8892 1.1017 0.6140
H6 1.4702 -1.5256 1.2890   1.9264 0.3345 -1.5256
H7 1.4702 -1.5256 -1.2890   -0.0797 1.9536 -1.5256
H8 0.5624 -0.2759 2.1548   2.0300 -0.9157 -0.2759
H9 0.5624 -0.2759 -2.1548   -1.3236 1.7910 -0.2759
H10 -0.3009 -1.5612 1.2956   0.8192 -1.0479 -1.5612
H11 -0.3009 -1.5612 -1.2956   -1.1972 0.5796 -1.5612
Atom - Atom Distances (Å)
  Cl1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11
Cl1 1.8273 2.7314 2.7314 2.3431 3.7066 3.7066 2.9062 2.9062 2.9513 2.9513
C2 1.8273 1.5150 1.5150 1.0887 2.1407 2.1407 2.1644 2.1644 2.1575 2.1575
C3 2.7314 1.5150 2.5311 2.1503 1.0930 2.7785 1.0895 3.4778 1.0912 2.7838
C4 2.7314 1.5150 2.5311 2.1503 2.7785 1.0930 3.4778 1.0895 2.7838 1.0912
H5 2.3431 1.0887 2.1503 2.1503 2.4984 2.4984 2.4826 2.4826 3.0589 3.0589
H6 3.7066 2.1407 1.0930 2.7785 2.4984 2.5780 1.7707 3.7744 1.7715 3.1335
H7 3.7066 2.1407 2.7785 1.0930 2.4984 2.5780 3.7744 1.7707 3.1335 1.7715
H8 2.9062 2.1644 1.0895 3.4778 2.4826 1.7707 3.7744 4.3096 1.7707 3.7819
H9 2.9062 2.1644 3.4778 1.0895 2.4826 3.7744 1.7707 4.3096 3.7819 1.7707
H10 2.9513 2.1575 1.0912 2.7838 3.0589 1.7715 3.1335 1.7707 3.7819 2.5913
H11 2.9513 2.1575 2.7838 1.0912 3.0589 3.1335 1.7715 3.7819 1.7707 2.5913
Maximum atom distance is 4.3096Å 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 109.260 Cl1 C2 C4 109.260
C3 C2 C4 113.302
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Cl1 C3 H5 55.848 C2 C3 H6 109.264
C2 C3 H8 111.360 C2 C3 H10 110.700
C2 C4 H7 109.264 C2 C4 H9 111.360
C2 C4 H11 110.700 C3 C2 H5 110.278
C4 C2 H5 110.278 H6 C3 H8 108.455
H6 C3 H10 108.400 H7 C4 H9 108.455
H7 C4 H11 108.400 H8 C3 H10 108.586
H9 C4 H11 108.586

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