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Geometry for C3H8 (Propane) 1A1 C2V

1910171554
InChI=1S/C3H8/c1-3-2/h3H2,1-2H3 INChIKey=ATUOYWHBWRKTHZ-UHFFFAOYSA-N

MP2/6-31G


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.5932   0.0000 0.5932 0.0000
C2 0.0000 1.2865 -0.2634   1.2865 -0.2634 0.0000
C3 0.0000 -1.2865 -0.2634   -1.2865 -0.2634 0.0000
H4 0.8824 0.0000 1.2527   0.0000 1.2527 0.8824
H5 -0.8824 0.0000 1.2527   0.0000 1.2527 -0.8824
H6 0.0000 2.1865 0.3674   2.1865 0.3674 0.0000
H7 0.0000 -2.1865 0.3674   -2.1865 0.3674 0.0000
H8 0.8893 1.3232 -0.9097   1.3232 -0.9097 0.8893
H9 -0.8893 1.3232 -0.9097   1.3232 -0.9097 -0.8893
H10 -0.8893 -1.3232 -0.9097   -1.3232 -0.9097 -0.8893
H11 0.8893 -1.3232 -0.9097   -1.3232 -0.9097 0.8893
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9 H10 H11
C1 1.5455 1.5455 1.1016 1.1016 2.1982 2.1982 2.1910 2.1910 2.1910 2.1910
C2 1.5455 2.5730 2.1753 2.1753 1.0991 3.5298 1.1000 1.1000 2.8318 2.8318
C3 1.5455 2.5730 2.1753 2.1753 3.5298 1.0991 2.8318 2.8318 1.1000 1.1000
H4 1.1016 2.1753 2.1753 1.7648 2.5186 2.5186 2.5351 3.0929 3.0929 2.5351
H5 1.1016 2.1753 2.1753 1.7648 2.5186 2.5186 3.0929 2.5351 2.5351 3.0929
H6 2.1982 1.0991 3.5298 2.5186 2.5186 4.3731 1.7797 1.7797 3.8393 3.8393
H7 2.1982 3.5298 1.0991 2.5186 2.5186 4.3731 3.8393 3.8393 1.7797 1.7797
H8 2.1910 1.1000 2.8318 2.5351 3.0929 1.7797 3.8393 1.7786 3.1885 2.6464
H9 2.1910 1.1000 2.8318 3.0929 2.5351 1.7797 3.8393 1.7786 2.6464 3.1885
H10 2.1910 2.8318 1.1000 3.0929 2.5351 3.8393 1.7797 3.1885 2.6464 1.7786
H11 2.1910 2.8318 1.1000 2.5351 3.0929 3.8393 1.7797 2.6464 3.1885 1.7786
Maximum atom distance is 4.3731Å between atoms H6 and H7.
picture of Propane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 C3 112.688
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 111.319 C1 C2 H8 110.698
C1 C2 H9 110.698 C1 C3 H7 111.319
C1 C3 H10 110.698 C1 C3 H11 110.698
C2 C1 H4 109.377 C2 C1 H5 109.377
C3 C1 H4 109.377 C3 C1 H5 109.377
H4 C1 H5 106.450 H6 C2 H8 108.053
H6 C2 H9 108.053 H7 C3 H10 108.053
H7 C3 H11 108.053 H8 C2 H9 107.891
H10 C3 H11 107.891

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