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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

PBEPBE/Def2TZVPP


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Cl1 -0.8905 1.0237 0.0000   1.3561 0.0000 -0.0449
C2 0.5702 -0.0729 0.0000   -0.4164 0.0000 0.3963
C3 0.5702 -0.9048 1.2712   -1.0617 1.2712 -0.1286
C4 0.5702 -0.9048 -1.2712   -1.0617 -1.2712 -0.1286
H5 1.4201 0.6224 0.0000   -0.4132 0.0000 1.4945
H6 1.4758 -1.5300 1.3015   -2.1182 1.3015 0.1795
H7 1.4758 -1.5300 -1.3015   -2.1182 -1.3015 0.1795
H8 0.5584 -0.2690 2.1649   -0.5610 2.1649 0.2635
H9 0.5584 -0.2690 -2.1649   -0.5610 -2.1649 0.2635
H10 -0.3067 -1.5658 1.3031   -1.0212 1.3031 -1.2260
H11 -0.3067 -1.5658 -1.3031   -1.0212 -1.3031 -1.2260
Atom - Atom Distances (Å)
  Cl1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11
Cl1 1.8265 2.7329 2.7329 2.3452 3.7168 3.7168 2.9081 2.9081 2.9571 2.9571
C2 1.8265 1.5192 1.5192 1.0981 2.1534 2.1534 2.1738 2.1738 2.1670 2.1670
C3 2.7329 1.5192 2.5425 2.1612 1.1009 2.7982 1.0968 3.4945 1.0986 2.7988
C4 2.7329 1.5192 2.5425 2.1612 2.7982 1.1009 3.4945 1.0968 2.7988 1.0986
H5 2.3452 1.0981 2.1612 2.1612 2.5159 2.5159 2.4947 2.4947 3.0771 3.0771
H6 3.7168 2.1534 1.1009 2.7982 2.5159 2.6029 1.7825 3.8010 1.7829 3.1564
H7 3.7168 2.1534 2.7982 1.1009 2.5159 2.6029 3.8010 1.7825 3.1564 1.7829
H8 2.9081 2.1738 1.0968 3.4945 2.4947 1.7825 3.8010 4.3298 1.7813 3.8023
H9 2.9081 2.1738 3.4945 1.0968 2.4947 3.8010 1.7825 4.3298 3.8023 1.7813
H10 2.9571 2.1670 1.0986 2.7988 3.0771 1.7829 3.1564 1.7813 3.8023 2.6063
H11 2.9571 2.1670 2.7988 1.0986 3.0771 3.1564 1.7829 3.8023 1.7813 2.6063
Maximum atom distance is 4.3298Å 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 109.193 Cl1 C2 C4 109.193
C3 C2 C4 113.599
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Cl1 C3 H5 55.800 C2 C3 H6 109.509
C2 C3 H8 111.365 C2 C3 H10 110.717
C2 C4 H7 109.509 C2 C4 H9 111.365
C2 C4 H11 110.717 C3 C2 H5 110.287
C4 C2 H5 110.287 H6 C3 H8 108.402
H6 C3 H10 108.308 H7 C4 H9 108.402
H7 C4 H11 108.308 H8 C3 H10 108.458
H9 C4 H11 108.458

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