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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

CCD/6-31G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Cl1 -0.9488 1.0356 0.0000   -0.6074 -0.7289 1.0356
C2 0.6108 -0.0819 0.0000   0.3910 0.4692 -0.0819
C3 0.6108 -0.9154 1.2875   1.3801 -0.3551 -0.9154
C4 0.6108 -0.9154 -1.2875   -0.5981 1.2935 -0.9154
H5 1.4315 0.6468 0.0000   0.9165 1.0997 0.6468
H6 1.5289 -1.5276 1.3225   1.9947 0.3279 -1.5276
H7 1.5289 -1.5276 -1.3225   -0.0371 2.0212 -1.5276
H8 0.5841 -0.2718 2.1791   2.0479 -0.9464 -0.2718
H9 0.5841 -0.2718 -2.1791   -1.3001 1.8438 -0.2718
H10 -0.2608 -1.5881 1.3143   0.8427 -1.0418 -1.5881
H11 -0.2608 -1.5881 -1.3143   -1.1766 0.6411 -1.5881
Atom - Atom Distances (Å)
  Cl1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11
Cl1 1.9186 2.8100 2.8100 2.4119 3.8023 3.8023 2.9677 2.9677 3.0140 3.0140
C2 1.9186 1.5338 1.5338 1.0976 2.1638 2.1638 2.1875 2.1875 2.1807 2.1807
C3 2.8100 1.5338 2.5751 2.1844 1.1041 2.8337 1.0999 3.5260 1.1013 2.8252
C4 2.8100 1.5338 2.5751 2.1844 2.8337 1.1041 3.5260 1.0999 2.8252 1.1013
H5 2.4119 1.0976 2.1844 2.1844 2.5468 2.5468 2.5121 2.5121 3.0961 3.0961
H6 3.8023 2.1638 1.1041 2.8337 2.5468 2.6449 1.7898 3.8380 1.7907 3.1873
H7 3.8023 2.1638 2.8337 1.1041 2.5468 2.6449 3.8380 1.7898 3.1873 1.7907
H8 2.9677 2.1875 1.0999 3.5260 2.5121 1.7898 3.8380 4.3582 1.7873 3.8276
H9 2.9677 2.1875 3.5260 1.0999 2.5121 3.8380 1.7898 4.3582 3.8276 1.7873
H10 3.0140 2.1807 1.1013 2.8252 3.0961 1.7907 3.1873 1.7873 3.8276 2.6286
H11 3.0140 2.1807 2.8252 1.1013 3.0961 3.1873 1.7907 3.8276 1.7873 2.6286
Maximum atom distance is 4.3582Å 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 108.452 Cl1 C2 C4 108.452
C3 C2 C4 114.167
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Cl1 C3 H5 56.080 C2 C3 H6 109.141
C2 C3 H8 111.254 C2 C3 H10 110.630
C2 C4 H7 109.141 C2 C4 H9 111.254
C2 C4 H11 110.630 C3 C2 H5 111.148
C4 C2 H5 111.148 H6 C3 H8 108.600
H6 C3 H10 108.580 H7 C4 H9 108.600
H7 C4 H11 108.580 H8 C3 H10 108.574
H9 C4 H11 108.574

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