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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

CID/3-21G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Cl1 -0.9054 1.0144 0.0000   1.3590 0.0000 -0.0461
C2 0.5814 -0.0530 0.0000   -0.4129 0.0000 0.4127
C3 0.5814 -0.9051 1.2764   -1.0675 1.2764 -0.1328
C4 0.5814 -0.9051 -1.2764   -1.0675 -1.2764 -0.1328
H5 1.4231 0.6356 0.0000   -0.4228 0.0000 1.5002
H6 1.4836 -1.5222 1.2982   -2.1192 1.2982 0.1652
H7 1.4836 -1.5222 -1.2982   -2.1192 -1.2982 0.1652
H8 0.5630 -0.2727 2.1644   -0.5699 2.1644 0.2579
H9 0.5630 -0.2727 -2.1644   -0.5699 -2.1644 0.2579
H10 -0.2942 -1.5561 1.2883   -1.0071 1.2883 -1.2222
H11 -0.2942 -1.5561 -1.2883   -1.0071 -1.2883 -1.2222
Atom - Atom Distances (Å)
  Cl1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11
Cl1 1.8303 2.7431 2.7431 2.3592 3.7185 3.7185 2.9151 2.9151 2.9396 2.9396
C2 1.8303 1.5347 1.5347 1.0875 2.1582 2.1582 2.1756 2.1756 2.1646 2.1646
C3 2.7431 1.5347 2.5528 2.1706 1.0933 2.7970 1.0903 3.4985 1.0911 2.7872
C4 2.7431 1.5347 2.5528 2.1706 2.7970 1.0933 3.4985 1.0903 2.7872 1.0911
H5 2.3592 1.0875 2.1706 2.1706 2.5190 2.5190 2.4999 2.4999 3.0680 3.0680
H6 3.7185 2.1582 1.0933 2.7970 2.5190 2.5963 1.7774 3.7945 1.7782 3.1388
H7 3.7185 2.1582 2.7970 1.0933 2.5190 2.5963 3.7945 1.7774 3.1388 1.7782
H8 2.9151 2.1756 1.0903 3.4985 2.4999 1.7774 3.7945 4.3288 1.7746 3.7820
H9 2.9151 2.1756 3.4985 1.0903 2.4999 3.7945 1.7774 4.3288 3.7820 1.7746
H10 2.9396 2.1646 1.0911 2.7872 3.0680 1.7782 3.1388 1.7746 3.7820 2.5767
H11 2.9396 2.1646 2.7872 1.0911 3.0680 3.1388 1.7782 3.7820 1.7746 2.5767
Maximum atom distance is 4.3288Å 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 108.893 Cl1 C2 C4 108.893
C3 C2 C4 112.549
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Cl1 C3 H5 55.935 C2 C3 H6 109.266
C2 C3 H8 110.815 C2 C3 H10 109.898
C2 C4 H7 109.266 C2 C4 H9 110.815
C2 C4 H11 109.898 C3 C2 H5 110.582
C4 C2 H5 110.582 H6 C3 H8 108.972
H6 C3 H10 108.977 H7 C4 H9 108.972
H7 C4 H11 108.977 H8 C3 H10 108.881
H9 C4 H11 108.881

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