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Geometry for C3H8 (Propane) 1A1 C2V

1910171554
InChI=1S/C3H8/c1-3-2/h3H2,1-2H3 INChIKey=ATUOYWHBWRKTHZ-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 0.5915   0.0000 0.5915 0.0000
C2 0.0000 1.2837 -0.2625   1.2837 -0.2625 0.0000
C3 0.0000 -1.2837 -0.2625   -1.2837 -0.2625 0.0000
H4 0.8722 0.0000 1.2434   0.0000 1.2434 0.8722
H5 -0.8722 0.0000 1.2434   0.0000 1.2434 -0.8722
H6 0.0000 2.1738 0.3624   2.1738 0.3624 0.0000
H7 0.0000 -2.1738 0.3624   -2.1738 0.3624 0.0000
H8 0.8789 1.3259 -0.9028   1.3259 -0.9028 0.8789
H9 -0.8789 1.3259 -0.9028   1.3259 -0.9028 -0.8789
H10 -0.8789 -1.3259 -0.9028   -1.3259 -0.9028 -0.8789
H11 0.8789 -1.3259 -0.9028   -1.3259 -0.9028 0.8789
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9 H10 H11
C1 1.5418 1.5418 1.0889 1.0889 2.1858 2.1858 2.1825 2.1825 2.1825 2.1825
C2 1.5418 2.5674 2.1625 2.1625 1.0875 3.5135 1.0883 1.0883 2.8271 2.8271
C3 1.5418 2.5674 2.1625 2.1625 3.5135 1.0875 2.8271 2.8271 1.0883 1.0883
H4 1.0889 2.1625 2.1625 1.7444 2.5024 2.5024 2.5227 3.0709 3.0709 2.5227
H5 1.0889 2.1625 2.1625 1.7444 2.5024 2.5024 3.0709 2.5227 2.5227 3.0709
H6 2.1858 1.0875 3.5135 2.5024 2.5024 4.3475 1.7585 1.7585 3.8237 3.8237
H7 2.1858 3.5135 1.0875 2.5024 2.5024 4.3475 3.8237 3.8237 1.7585 1.7585
H8 2.1825 1.0883 2.8271 2.5227 3.0709 1.7585 3.8237 1.7579 3.1815 2.6517
H9 2.1825 1.0883 2.8271 3.0709 2.5227 1.7585 3.8237 1.7579 2.6517 3.1815
H10 2.1825 2.8271 1.0883 3.0709 2.5227 3.8237 1.7585 3.1815 2.6517 1.7579
H11 2.1825 2.8271 1.0883 2.5227 3.0709 3.8237 1.7585 2.6517 3.1815 1.7579
Maximum atom distance is 4.3475Å 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 112.729
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 111.292 C1 C2 H8 110.988
C1 C2 H9 110.988 C1 C3 H7 111.292
C1 C3 H10 110.988 C1 C3 H11 110.988
C2 C1 H4 109.366 C2 C1 H5 109.366
C3 C1 H4 109.366 C3 C1 H5 109.366
H4 C1 H5 106.453 H6 C2 H8 107.840
H6 C2 H9 107.840 H7 C3 H10 107.840
H7 C3 H11 107.840 H8 C2 H9 107.736
H10 C3 H11 107.736

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