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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

wB97X-D/cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Cl1 -0.8855 1.0216 0.0000   1.3512 0.0000 -0.0450
C2 0.5669 -0.0705 0.0000   -0.4117 0.0000 0.3961
C3 0.5669 -0.9037 1.2649   -1.0590 1.2649 -0.1283
C4 0.5669 -0.9037 -1.2649   -1.0590 -1.2649 -0.1283
H5 1.4122 0.6137 0.0000   -0.4121 0.0000 1.4837
H6 1.4643 -1.5249 1.2882   -2.1066 1.2882 0.1780
H7 1.4643 -1.5249 -1.2882   -2.1066 -1.2882 0.1780
H8 0.5589 -0.2746 2.1527   -0.5652 2.1527 0.2614
H9 0.5589 -0.2746 -2.1527   -0.5652 -2.1527 0.2614
H10 -0.3048 -1.5572 1.2943   -1.0182 1.2943 -1.2171
H11 -0.3048 -1.5572 -1.2943   -1.0182 -1.2943 -1.2171
Atom - Atom Distances (Å)
  Cl1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11
Cl1 1.8172 2.7232 2.7232 2.3337 3.6967 3.6967 2.8984 2.8984 2.9433 2.9433
C2 1.8172 1.5146 1.5146 1.0876 2.1401 2.1401 2.1624 2.1624 2.1553 2.1553
C3 2.7232 1.5146 2.5297 2.1487 1.0917 2.7766 1.0881 3.4750 1.0900 2.7814
C4 2.7232 1.5146 2.5297 2.1487 2.7766 1.0917 3.4750 1.0881 2.7814 1.0900
H5 2.3337 1.0876 2.1487 2.1487 2.4972 2.4972 2.4802 2.4802 3.0556 3.0556
H6 3.6967 2.1401 1.0917 2.7766 2.4972 2.5764 1.7693 3.7713 1.7695 3.1305
H7 3.6967 2.1401 2.7766 1.0917 2.4972 2.5764 3.7713 1.7693 3.1305 1.7695
H8 2.8984 2.1624 1.0881 3.4750 2.4802 1.7693 3.7713 4.3054 1.7686 3.7780
H9 2.8984 2.1624 3.4750 1.0881 2.4802 3.7713 1.7693 4.3054 3.7780 1.7686
H10 2.9433 2.1553 1.0900 2.7814 3.0556 1.7695 3.1305 1.7686 3.7780 2.5886
H11 2.9433 2.1553 2.7814 1.0900 3.0556 3.1305 1.7695 3.7780 1.7686 2.5886
Maximum atom distance is 4.3054Å 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 109.304 Cl1 C2 C4 109.304
C3 C2 C4 113.258
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Cl1 C3 H5 55.747 C2 C3 H6 109.321
C2 C3 H8 111.311 C2 C3 H10 110.633
C2 C4 H7 109.321 C2 C4 H9 111.311
C2 C4 H11 110.633 C3 C2 H5 110.248
C4 C2 H5 110.248 H6 C3 H8 108.517
H6 C3 H10 108.400 H7 C4 H9 108.517
H7 C4 H11 108.400 H8 C3 H10 108.586
H9 C4 H11 108.586

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