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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

B97D3/3-21G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Cl1 -0.9914 0.9931 0.0000   1.4026 0.0000 -0.0425
C2 0.6412 -0.0579 0.0000   -0.4813 0.0000 0.4277
C3 0.6412 -0.8878 1.2803   -1.0861 1.2803 -0.1406
C4 0.6412 -0.8878 -1.2803   -1.0861 -1.2803 -0.1406
H5 1.4208 0.7107 0.0000   -0.4549 0.0000 1.5221
H6 1.5761 -1.4709 1.3265   -2.1512 1.3265 0.1415
H7 1.5761 -1.4709 -1.3265   -2.1512 -1.3265 0.1415
H8 0.5799 -0.2440 2.1665   -0.5749 2.1665 0.2555
H9 0.5799 -0.2440 -2.1665   -0.5749 -2.1665 0.2555
H10 -0.2103 -1.5812 1.2792   -1.0083 1.2792 -1.2360
H11 -0.2103 -1.5812 -1.2792   -1.0083 -1.2792 -1.2360
Atom - Atom Distances (Å)
  Cl1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11
Cl1 1.9417 2.8005 2.8005 2.4287 3.7977 3.7977 2.9484 2.9484 2.9788 2.9788
C2 1.9417 1.5257 1.5257 1.0947 2.1518 2.1518 2.1754 2.1754 2.1638 2.1638
C3 2.8005 1.5257 2.5605 2.1914 1.1027 2.8300 1.0971 3.5069 1.0981 2.7851
C4 2.8005 1.5257 2.5605 2.1914 2.8300 1.1027 3.5069 1.0971 2.7851 1.0981
H5 2.4287 1.0947 2.1914 2.1914 2.5579 2.5579 2.5125 2.5125 3.0903 3.0903
H6 3.7977 2.1518 1.1027 2.8300 2.5579 2.6530 1.7898 3.8339 1.7904 3.1612
H7 3.7977 2.1518 2.8300 1.1027 2.5579 2.6530 3.8339 1.7898 3.1612 1.7904
H8 2.9484 2.1754 1.0971 3.5069 2.5125 1.7898 3.8339 4.3330 1.7888 3.7796
H9 2.9484 2.1754 3.5069 1.0971 2.5125 3.8339 1.7898 4.3330 3.7796 1.7888
H10 2.9788 2.1638 1.0981 2.7851 3.0903 1.7904 3.1612 1.7888 3.7796 2.5584
H11 2.9788 2.1638 2.7851 1.0981 3.0903 3.1612 1.7904 3.7796 1.7888 2.5584
Maximum atom distance is 4.3330Å 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 107.123 Cl1 C2 C4 107.123
C3 C2 C4 114.092
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Cl1 C3 H5 56.658 C2 C3 H6 108.833
C2 C3 H8 111.015 C2 C3 H10 110.038
C2 C4 H7 108.833 C2 C4 H9 111.015
C2 C4 H11 110.038 C3 C2 H5 112.452
C4 C2 H5 112.452 H6 C3 H8 108.894
H6 C3 H10 108.882 H7 C4 H9 108.894
H7 C4 H11 108.882 H8 C3 H10 109.140
H9 C4 H11 109.140

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