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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

MP2/3-21G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Cl1 -0.9695 1.0111 0.0000   1.4001 0.0000 -0.0433
C2 0.6261 -0.0640 0.0000   -0.4667 0.0000 0.4223
C3 0.6261 -0.9012 1.2817   -1.0886 1.2817 -0.1382
C4 0.6261 -0.9012 -1.2817   -1.0886 -1.2817 -0.1382
H5 1.4264 0.6758 0.0000   -0.4530 0.0000 1.5120
H6 1.5467 -1.4963 1.3200   -2.1470 1.3200 0.1472
H7 1.5467 -1.4963 -1.3200   -2.1470 -1.3200 0.1472
H8 0.5801 -0.2607 2.1663   -0.5820 2.1663 0.2564
H9 0.5801 -0.2607 -2.1663   -0.5820 -2.1663 0.2564
H10 -0.2346 -1.5762 1.2870   -1.0138 1.2870 -1.2295
H11 -0.2346 -1.5762 -1.2870   -1.0138 -1.2870 -1.2295
Atom - Atom Distances (Å)
  Cl1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11
Cl1 1.9240 2.8009 2.8009 2.4192 3.7895 3.7895 2.9515 2.9515 2.9816 2.9816
C2 1.9240 1.5309 1.5309 1.0898 2.1544 2.1544 2.1757 2.1757 2.1642 2.1642
C3 2.8009 1.5309 2.5634 2.1840 1.0969 2.8232 1.0931 3.5073 1.0939 2.7919
C4 2.8009 1.5309 2.5634 2.1840 2.8232 1.0969 3.5073 1.0931 2.7919 1.0939
H5 2.4192 1.0898 2.1840 2.1840 2.5445 2.5445 2.5072 2.5072 3.0800 3.0800
H6 3.7895 2.1544 1.0969 2.8232 2.5445 2.6400 1.7825 3.8230 1.7834 3.1585
H7 3.7895 2.1544 2.8232 1.0969 2.5445 2.6400 3.8230 1.7825 3.1585 1.7834
H8 2.9515 2.1757 1.0931 3.5073 2.5072 1.7825 3.8230 4.3326 1.7798 3.7841
H9 2.9515 2.1757 3.5073 1.0931 2.5072 3.8230 1.7825 4.3326 3.7841 1.7798
H10 2.9816 2.1642 1.0939 2.7919 3.0800 1.7834 3.1585 1.7798 3.7841 2.5739
H11 2.9816 2.1642 2.7919 1.0939 3.0800 3.1585 1.7834 3.7841 1.7798 2.5739
Maximum atom distance is 4.3326Å 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 107.793 Cl1 C2 C4 107.793
C3 C2 C4 113.697
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Cl1 C3 H5 56.445 C2 C3 H6 109.022
C2 C3 H8 110.923 C2 C3 H10 109.967
C2 C4 H7 109.022 C2 C4 H9 110.923
C2 C4 H11 109.967 C3 C2 H5 111.789
C4 C2 H5 111.789 H6 C3 H8 108.963
H6 C3 H10 108.994 H7 C4 H9 108.963
H7 C4 H11 108.994 H8 C3 H10 108.939
H9 C4 H11 108.939

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