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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

wB97X-D/SDD


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.3769   0.0000 0.3769 0.0000
Cl2 1.5101 0.0000 -0.7346   1.5101 -0.7346 0.0000
Cl3 -1.5101 0.0000 -0.7346   -1.5101 -0.7346 0.0000
C4 0.0000 1.2850 1.1933   0.0000 1.1933 1.2850
C5 0.0000 -1.2850 1.1933   0.0000 1.1933 -1.2850
H6 0.0000 2.1617 0.5431   0.0000 0.5431 2.1617
H7 0.0000 -2.1617 0.5431   0.0000 0.5431 -2.1617
H8 -0.8911 1.3142 1.8276   -0.8911 1.8276 1.3142
H9 0.8911 1.3142 1.8276   0.8911 1.8276 1.3142
H10 0.8911 -1.3142 1.8276   0.8911 1.8276 -1.3142
H11 -0.8911 -1.3142 1.8276   -0.8911 1.8276 -1.3142
Atom - Atom Distances (Å)
  C1 Cl2 Cl3 C4 C5 H6 H7 H8 H9 H10 H11
C1 1.8751 1.8751 1.5224 1.5224 2.1681 2.1681 2.1507 2.1507 2.1507 2.1507
Cl2 1.8751 3.0202 2.7656 2.7656 2.9302 2.9302 3.7494 2.9454 2.9454 3.7494
Cl3 1.8751 3.0202 2.7656 2.7656 2.9302 2.9302 2.9454 3.7494 3.7494 2.9454
C4 1.5224 2.7656 2.7656 2.5700 1.0915 3.5075 1.0942 1.0942 2.8199 2.8199
C5 1.5224 2.7656 2.7656 2.5700 3.5075 1.0915 2.8199 2.8199 1.0942 1.0942
H6 2.1681 2.9302 2.9302 1.0915 3.5075 4.3234 1.7783 1.7783 3.8113 3.8113
H7 2.1681 2.9302 2.9302 3.5075 1.0915 4.3234 3.8113 3.8113 1.7783 1.7783
H8 2.1507 3.7494 2.9454 1.0942 2.8199 1.7783 3.8113 1.7822 3.1756 2.6283
H9 2.1507 2.9454 3.7494 1.0942 2.8199 1.7783 3.8113 1.7822 2.6283 3.1756
H10 2.1507 2.9454 3.7494 2.8199 1.0942 3.8113 1.7783 3.1756 2.6283 1.7822
H11 2.1507 3.7494 2.9454 2.8199 1.0942 3.8113 1.7783 2.6283 3.1756 1.7822
Maximum atom distance is 4.3234Å 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 107.288 Cl2 C1 C4 108.535
Cl2 C1 C5 108.535 Cl3 C1 C4 108.535
Cl3 C1 C5 108.535 C4 C1 C5 115.144
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C4 H6 111.013 C1 C4 H8 109.474
C1 C4 H9 109.474 C1 C5 H7 111.013
C1 C5 H10 109.474 C1 C5 H11 109.474
H6 C4 H8 108.898 H6 C4 H9 108.898
H7 C5 H10 108.898 H7 C5 H11 108.898
H8 C4 H9 109.054 H10 C5 H11 109.054

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