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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

mPW1PW91/3-21G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Cl1 -0.9693 0.9868 0.0000   1.3826 0.0000 -0.0430
C2 0.6262 -0.0538 0.0000   -0.4642 0.0000 0.4237
C3 0.6262 -0.8825 1.2707   -1.0732 1.2707 -0.1383
C4 0.6262 -0.8825 -1.2707   -1.0732 -1.2707 -0.1383
H5 1.4147 0.6988 0.0000   -0.4460 0.0000 1.5136
H6 1.5513 -1.4698 1.3172   -2.1323 1.3172 0.1431
H7 1.5513 -1.4698 -1.3172   -2.1323 -1.3172 0.1431
H8 0.5704 -0.2447 2.1558   -0.5667 2.1558 0.2532
H9 0.5704 -0.2447 -2.1558   -0.5667 -2.1558 0.2532
H10 -0.2263 -1.5670 1.2730   -0.9981 1.2730 -1.2291
H11 -0.2263 -1.5670 -1.2730   -0.9981 -1.2730 -1.2291
Atom - Atom Distances (Å)
  Cl1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11
Cl1 1.9049 2.7667 2.7667 2.4014 3.7582 3.7582 2.9214 2.9214 2.9487 2.9487
C2 1.9049 1.5170 1.5170 1.0900 2.1438 2.1438 2.1649 2.1649 2.1534 2.1534
C3 2.7667 1.5170 2.5414 2.1764 1.0968 2.8103 1.0923 3.4857 1.0933 2.7687
C4 2.7667 1.5170 2.5414 2.1764 2.8103 1.0968 3.4857 1.0923 2.7687 1.0933
H5 2.4014 1.0900 2.1764 2.1764 2.5410 2.5410 2.5001 2.5001 3.0737 3.0737
H6 3.7582 2.1438 1.0968 2.8103 2.5410 2.6343 1.7794 3.8111 1.7808 3.1430
H7 3.7582 2.1438 2.8103 1.0968 2.5410 2.6343 3.8111 1.7794 3.1430 1.7808
H8 2.9214 2.1649 1.0923 3.4857 2.5001 1.7794 3.8111 4.3115 1.7783 3.7603
H9 2.9214 2.1649 3.4857 1.0923 2.5001 3.8111 1.7794 4.3115 3.7603 1.7783
H10 2.9487 2.1534 1.0933 2.7687 3.0737 1.7808 3.1430 1.7783 3.7603 2.5460
H11 2.9487 2.1534 2.7687 1.0933 3.0737 3.1430 1.7808 3.7603 1.7783 2.5460
Maximum atom distance is 4.3115Å 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 107.363 Cl1 C2 C4 107.363
C3 C2 C4 113.778
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Cl1 C3 H5 56.626 C2 C3 H6 109.150
C2 C3 H8 111.086 C2 C3 H10 110.110
C2 C4 H7 109.150 C2 C4 H9 111.086
C2 C4 H11 110.110 C3 C2 H5 112.158
C4 C2 H5 112.158 H6 C3 H8 108.747
H6 C3 H10 108.800 H7 C4 H9 108.747
H7 C4 H11 108.800 H8 C3 H10 108.904
H9 C4 H11 108.904

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