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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

MP4/3-21G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Cl1 -0.9795 1.0111 0.0000   1.4071 0.0000 -0.0433
C2 0.6331 -0.0624 0.0000   -0.4725 0.0000 0.4260
C3 0.6331 -0.9021 1.2873   -1.0932 1.2873 -0.1395
C4 0.6331 -0.9021 -1.2873   -1.0932 -1.2873 -0.1395
H5 1.4309 0.6862 0.0000   -0.4563 0.0000 1.5199
H6 1.5567 -1.5007 1.3252   -2.1577 1.3252 0.1402
H7 1.5567 -1.5007 -1.3252   -2.1577 -1.3252 0.1402
H8 0.5880 -0.2581 2.1744   -0.5867 2.1744 0.2609
H9 0.5880 -0.2581 -2.1744   -0.5867 -2.1744 0.2609
H10 -0.2317 -1.5787 1.2927   -1.0111 1.2927 -1.2344
H11 -0.2317 -1.5787 -1.2927   -1.0111 -1.2927 -1.2344
Atom - Atom Distances (Å)
  Cl1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11
Cl1 1.9372 2.8138 2.8138 2.4322 3.8076 3.8076 2.9658 2.9658 2.9895 2.9895
C2 1.9372 1.5369 1.5369 1.0940 2.1629 2.1629 2.1836 2.1836 2.1721 2.1721
C3 2.8138 1.5369 2.5746 2.1946 1.1013 2.8349 1.0971 3.5214 1.0980 2.8039
C4 2.8138 1.5369 2.5746 2.1946 2.8349 1.1013 3.5214 1.0971 2.8039 1.0980
H5 2.4322 1.0940 2.1946 2.1946 2.5602 2.5602 2.5160 2.5160 3.0927 3.0927
H6 3.8076 2.1629 1.1013 2.8349 2.5602 2.6504 1.7899 3.8379 1.7903 3.1714
H7 3.8076 2.1629 2.8349 1.1013 2.5602 2.6504 3.8379 1.7899 3.1714 1.7903
H8 2.9658 2.1836 1.0971 3.5214 2.5160 1.7899 3.8379 4.3488 1.7870 3.7996
H9 2.9658 2.1836 3.5214 1.0971 2.5160 3.8379 1.7899 4.3488 3.7996 1.7870
H10 2.9895 2.1721 1.0980 2.8039 3.0927 1.7903 3.1714 1.7870 3.7996 2.5854
H11 2.9895 2.1721 2.8039 1.0980 3.0927 3.1714 1.7903 3.7996 1.7870 2.5854
Maximum atom distance is 4.3488Å 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 107.621 Cl1 C2 C4 107.621
C3 C2 C4 113.771
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Cl1 C3 H5 56.491 C2 C3 H6 109.015
C2 C3 H8 110.889 C2 C3 H10 109.925
C2 C4 H7 109.015 C2 C4 H9 110.889
C2 C4 H11 109.925 C3 C2 H5 111.952
C4 C2 H5 111.952 H6 C3 H8 109.009
H6 C3 H10 108.984 H7 C4 H9 109.009
H7 C4 H11 108.984 H8 C3 H10 108.987
H9 C4 H11 108.987

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