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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/CEP-31G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Cl1 -0.9434 1.0510 0.0000   1.4116 0.0000 -0.0451
C2 0.6060 -0.0786 0.0000   -0.4503 0.0000 0.4131
C3 0.6060 -0.9305 1.3065   -1.1021 1.3065 -0.1355
C4 0.6060 -0.9305 -1.3065   -1.1021 -1.3065 -0.1355
H5 1.4491 0.6410 0.0000   -0.4426 0.0000 1.5215
H6 1.5325 -1.5463 1.3363   -2.1699 1.3363 0.1770
H7 1.5325 -1.5463 -1.3363   -2.1699 -1.3363 0.1770
H8 0.5809 -0.2820 2.2053   -0.5898 2.2053 0.2629
H9 0.5809 -0.2820 -2.2053   -0.5898 -2.2053 0.2629
H10 -0.2732 -1.6076 1.3318   -1.0541 1.3318 -1.2442
H11 -0.2732 -1.6076 -1.3318   -1.0541 -1.3318 -1.2442
Atom - Atom Distances (Å)
  Cl1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11
Cl1 1.9174 2.8344 2.8344 2.4274 3.8291 3.8291 2.9939 2.9939 3.0482 3.0482
C2 1.9174 1.5597 1.5597 1.1085 2.1905 2.1905 2.2148 2.2148 2.2101 2.2101
C3 2.8344 1.5597 2.6129 2.2107 1.1130 2.8674 1.1086 3.5712 1.1101 2.8621
C4 2.8344 1.5597 2.6129 2.2107 2.8674 1.1130 3.5712 1.1086 2.8621 1.1101
H5 2.4274 1.1085 2.2107 2.2107 2.5646 2.5646 2.5434 2.5434 3.1300 3.1300
H6 3.8291 2.1905 1.1130 2.8674 2.5646 2.6725 1.8054 3.8790 1.8068 3.2222
H7 3.8291 2.1905 2.8674 1.1130 2.5646 2.6725 3.8790 1.8054 3.2222 1.8068
H8 2.9939 2.2148 1.1086 3.5712 2.5434 1.8054 3.8790 4.4106 1.8028 3.8727
H9 2.9939 2.2148 3.5712 1.1086 2.5434 3.8790 1.8054 4.4106 3.8727 1.8028
H10 3.0482 2.2101 1.1101 2.8621 3.1300 1.8068 3.2222 1.8028 3.8727 2.6635
H11 3.0482 2.2101 2.8621 1.1101 3.1300 3.2222 1.8068 3.8727 1.8028 2.6635
Maximum atom distance is 4.4106Å 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 108.771 Cl1 C2 C4 108.771
C3 C2 C4 113.786
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Cl1 C3 H5 55.884 C2 C3 H6 108.945
C2 C3 H8 111.076 C2 C3 H10 110.628
C2 C4 H7 108.945 C2 C4 H9 111.076
C2 C4 H11 110.628 C3 C2 H5 110.768
C4 C2 H5 110.768 H6 C3 H8 108.712
H6 C3 H10 108.736 H7 C4 H9 108.712
H7 C4 H11 108.736 H8 C3 H10 108.692
H9 C4 H11 108.692

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