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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

MP2/LANL2DZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Cl1 -0.9500 1.0336 0.0000   1.4032 0.0000 -0.0444
C2 0.6115 -0.0729 0.0000   -0.4546 0.0000 0.4155
C3 0.6115 -0.9171 1.2968   -1.0938 1.2968 -0.1359
C4 0.6115 -0.9171 -1.2968   -1.0938 -1.2968 -0.1359
H5 1.4380 0.6542 0.0000   -0.4438 0.0000 1.5163
H6 1.5322 -1.5298 1.3317   -2.1591 1.3317 0.1612
H7 1.5322 -1.5298 -1.3317   -2.1591 -1.3317 0.1612
H8 0.5831 -0.2717 2.1904   -0.5865 2.1904 0.2641
H9 0.5831 -0.2717 -2.1904   -0.5865 -2.1904 0.2641
H10 -0.2628 -1.5904 1.3203   -1.0327 1.3203 -1.2377
H11 -0.2628 -1.5904 -1.3203   -1.0327 -1.3203 -1.2377
Atom - Atom Distances (Å)
  Cl1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11
Cl1 1.9138 2.8151 2.8151 2.4180 3.8086 3.8086 2.9752 2.9752 3.0167 3.0167
C2 1.9138 1.5473 1.5473 1.1009 2.1779 2.1779 2.1996 2.1996 2.1932 2.1932
C3 2.8151 1.5473 2.5936 2.1986 1.1065 2.8516 1.1027 3.5465 1.1037 2.8402
C4 2.8151 1.5473 2.5936 2.1986 2.8516 1.1065 3.5465 1.1027 2.8402 1.1037
H5 2.4180 1.1009 2.1986 2.1986 2.5597 2.5597 2.5271 2.5271 3.1103 3.1103
H6 3.8086 2.1779 1.1065 2.8516 2.5597 2.6634 1.7947 3.8586 1.7960 3.2029
H7 3.8086 2.1779 2.8516 1.1065 2.5597 2.6634 3.8586 1.7947 3.2029 1.7960
H8 2.9752 2.1996 1.1027 3.5465 2.5271 1.7947 3.8586 4.3808 1.7921 3.8444
H9 2.9752 2.1996 3.5465 1.1027 2.5271 3.8586 1.7947 4.3808 3.8444 1.7921
H10 3.0167 2.1932 1.1037 2.8402 3.1103 1.7960 3.2029 1.7921 3.8444 2.6405
H11 3.0167 2.1932 2.8402 1.1037 3.1103 3.2029 1.7960 3.8444 1.7921 2.6405
Maximum atom distance is 4.3808Å 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 108.387 Cl1 C2 C4 108.387
C3 C2 C4 113.875
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Cl1 C3 H5 56.056 C2 C3 H6 109.180
C2 C3 H8 111.094 C2 C3 H10 110.525
C2 C4 H7 109.180 C2 C4 H9 111.094
C2 C4 H11 110.525 C3 C2 H5 111.121
C4 C2 H5 111.121 H6 C3 H8 108.663
H6 C3 H10 108.701 H7 C4 H9 108.663
H7 C4 H11 108.701 H8 C3 H10 108.625
H9 C4 H11 108.625

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