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Geometry for CH2ClCH2CH3 (Propane, 1-chloro-) 1A' anti

1910171554
InChI=1S/C3H7Cl/c1-2-3-4/h2-3H2,1H3 INChIKey=SNMVRZFUUCLYTO-UHFFFAOYSA-N

CID/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.5840 0.0000   0.0583 -0.5811 0.0000
C2 0.8929 -0.6422 0.0000   -0.9525 0.5498 0.0000
C3 2.3670 -0.2496 0.0000   -2.3800 0.0120 0.0000
Cl4 -1.7333 0.1418 0.0000   1.7388 0.0320 0.0000
H5 0.1687 1.1952 0.8825   -0.0485 -1.2061 0.8825
H6 0.1687 1.1952 -0.8825   -0.0485 -1.2061 -0.8825
H7 0.6647 -1.2503 -0.8757   -0.7862 1.1776 -0.8757
H8 0.6647 -1.2503 0.8757   -0.7862 1.1776 0.8757
H9 3.0012 -1.1352 0.0000   -3.0996 0.8298 0.0000
H10 2.6193 0.3405 -0.8818   -2.5722 -0.6004 -0.8818
H11 2.6193 0.3405 0.8818   -2.5722 -0.6004 0.8818
Atom - Atom Distances (Å)
  C1 C2 C3 Cl4 H5 H6 H7 H8 H9 H10 H11
C1 1.5168 2.5095 1.7888 1.0867 1.0867 2.1385 2.1385 3.4588 2.7745 2.7745
C2 1.5168 1.5255 2.7407 2.1632 2.1632 1.0903 1.0903 2.1652 2.1734 2.1734
C3 2.5095 1.5255 4.1189 2.7746 2.7746 2.1601 2.1601 1.0893 1.0906 1.0906
Cl4 1.7888 2.7407 4.1189 2.3465 2.3465 2.9077 2.9077 4.9037 4.4454 4.4454
H5 1.0867 2.1632 2.7746 2.3465 1.7650 3.0525 2.4953 3.7726 3.1383 2.5954
H6 1.0867 2.1632 2.7746 2.3465 1.7650 2.4953 3.0525 3.7726 2.5954 3.1383
H7 2.1385 1.0903 2.1601 2.9077 3.0525 2.4953 1.7515 2.4980 2.5201 3.0725
H8 2.1385 1.0903 2.1601 2.9077 2.4953 3.0525 1.7515 2.4980 3.0725 2.5201
H9 3.4588 2.1652 1.0893 4.9037 3.7726 3.7726 2.4980 2.4980 1.7610 1.7610
H10 2.7745 2.1734 1.0906 4.4454 3.1383 2.5954 2.5201 3.0725 1.7610 1.7636
H11 2.7745 2.1734 1.0906 4.4454 2.5954 3.1383 3.0725 2.5201 1.7610 1.7636
Maximum atom distance is 4.9037Å between atoms Cl4 and H9.
picture of Propane, 1-chloro-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C3 111.147 C2 C1 Cl4 111.748
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 109.126 C1 C2 H8 109.126
C2 C1 H5 111.303 C2 C1 H6 111.303
C2 C3 H9 110.699 C2 C3 H10 111.273
C2 C3 H11 111.273 C3 C2 H7 110.230
C3 C2 H8 110.230 Cl4 C1 H5 106.827
Cl4 C1 H6 106.827 H5 C1 H6 108.606
H7 C2 H8 106.876 H9 C3 H10 107.767
H9 C3 H11 107.767 H10 C3 H11 107.906

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