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Geometry for CH3CCl2CH3 (Propane, 2,2-dichloro-) 1A1 C2V

1910171554
InChI=1S/C3H6Cl2/c1-3(2,4)5/h1-2H3 INChIKey=ZEOVXNVKXIPWMS-UHFFFAOYSA-N

HF/CEP-121G*


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.3387   0.0000 0.3387 0.0000
Cl2 1.4647 0.0000 -0.7201   1.4647 -0.7201 0.0000
Cl3 -1.4647 0.0000 -0.7201   -1.4647 -0.7201 0.0000
C4 0.0000 1.2772 1.1781   0.0000 1.1781 1.2772
C5 0.0000 -1.2772 1.1781   0.0000 1.1781 -1.2772
H6 0.0000 2.1546 0.5440   0.0000 0.5440 2.1546
H7 0.0000 -2.1546 0.5440   0.0000 0.5440 -2.1546
H8 -0.8843 1.2950 1.8069   -0.8843 1.8069 1.2950
H9 0.8843 1.2950 1.8069   0.8843 1.8069 1.2950
H10 0.8843 -1.2950 1.8069   0.8843 1.8069 -1.2950
H11 -0.8843 -1.2950 1.8069   -0.8843 1.8069 -1.2950
Atom - Atom Distances (Å)
  C1 Cl2 Cl3 C4 C5 H6 H7 H8 H9 H10 H11
C1 1.8073 1.8073 1.5283 1.5283 2.1643 2.1643 2.1482 2.1482 2.1482 2.1482
Cl2 1.8073 2.9294 2.7166 2.7166 2.8958 2.8958 3.6852 2.8982 2.8982 3.6852
Cl3 1.8073 2.9294 2.7166 2.7166 2.8958 2.8958 2.8982 3.6852 3.6852 2.8982
C4 1.5283 2.7166 2.7166 2.5543 1.0826 3.4898 1.0852 1.0852 2.7917 2.7917
C5 1.5283 2.7166 2.7166 2.5543 3.4898 1.0826 2.7917 2.7917 1.0852 1.0852
H6 2.1643 2.8958 2.8958 1.0826 3.4898 4.3091 1.7652 1.7652 3.7784 3.7784
H7 2.1643 2.8958 2.8958 3.4898 1.0826 4.3091 3.7784 3.7784 1.7652 1.7652
H8 2.1482 3.6852 2.8982 1.0852 2.7917 1.7652 3.7784 1.7686 3.1362 2.5900
H9 2.1482 2.8982 3.6852 1.0852 2.7917 1.7652 3.7784 1.7686 2.5900 3.1362
H10 2.1482 2.8982 3.6852 2.7917 1.0852 3.7784 1.7652 3.1362 2.5900 1.7686
H11 2.1482 3.6852 2.8982 2.7917 1.0852 3.7784 1.7652 2.5900 3.1362 1.7686
Maximum atom distance is 4.3091Å between atoms H6 and H7.
picture of Propane, 2,2-dichloro-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Cl2 C1 Cl3 108.276 Cl2 C1 C4 108.770
Cl2 C1 C5 108.770 Cl3 C1 C4 108.770
Cl3 C1 C5 108.770 C4 C1 C5 113.368
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C4 H6 110.827 C1 C4 H8 109.388
C1 C4 H9 109.388 C1 C5 H7 110.827
C1 C5 H10 109.388 C1 C5 H11 109.388
H6 C4 H8 109.031 H6 C4 H9 109.031
H7 C5 H10 109.031 H7 C5 H11 109.031
H8 C4 H9 109.150 H10 C5 H11 109.150

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