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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

G4
This model chemistry uses a geometry from B3LYP/6-31G(2df,p)


Point group is Cs
Atom Internal
x (Å) y (Å) z (Å)
Cl1 -0.8953 1.0251 0.0000
C2 0.5735 -0.0743 0.0000
C3 0.5735 -0.9061 1.2740
C4 0.5735 -0.9061 -1.2740
H5 1.4159 0.6205 0.0000
H6 1.4770 -1.5263 1.3032
H7 1.4770 -1.5263 -1.3032
H8 0.5618 -0.2714 2.1627
H9 0.5618 -0.2714 -2.1627
H10 -0.2979 -1.5663 1.3078
H11 -0.2979 -1.5663 -1.3078
Atom - Atom Distances (Å)
  Cl1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11
Cl1 1.8347 2.7404 2.7404 2.3463 3.7196 3.7196 2.9122 2.9122 2.9635 2.9635
C2 1.8347 1.5215 1.5215 1.0919 2.1501 2.1501 2.1717 2.1717 2.1669 2.1669
C3 2.7404 1.5215 2.5480 2.1595 1.0963 2.8005 1.0921 3.4948 1.0937 2.8037
C4 2.7404 1.5215 2.5480 2.1595 2.8005 1.0963 3.4948 1.0921 2.8037 1.0937
H5 2.3463 1.0919 2.1595 2.1595 2.5122 2.5122 2.4904 2.4904 3.0707 3.0707
H6 3.7196 2.1501 1.0963 2.8005 2.5122 2.6064 1.7751 3.7980 1.7753 3.1574
H7 3.7196 2.1501 2.8005 1.0963 2.5122 2.6064 3.7980 1.7751 3.1574 1.7753
H8 2.9122 2.1717 1.0921 3.4948 2.4904 1.7751 3.7980 4.3253 1.7739 3.8026
H9 2.9122 2.1717 3.4948 1.0921 2.4904 3.7980 1.7751 4.3253 3.8026 1.7739
H10 2.9635 2.1669 1.0937 2.8037 3.0707 1.7753 3.1574 1.7739 3.8026 2.6155
H11 2.9635 2.1669 2.8037 1.0937 3.0707 3.1574 1.7753 3.8026 1.7739 2.6155
Maximum atom distance is 4.3253Å between atoms H8 and H9.
picture of Propane, 2-chloro-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle

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