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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/cc-pVDZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.5822   0.0000 0.5822 0.0000
C2 0.0000 1.2739 -0.2588   1.2739 -0.2588 0.0000
C3 0.0000 -1.2739 -0.2588   -1.2739 -0.2588 0.0000
H4 0.8750 0.0000 1.2401   0.0000 1.2401 0.8750
H5 -0.8750 0.0000 1.2401   0.0000 1.2401 -0.8750
H6 0.0000 2.1662 0.3717   2.1662 0.3717 0.0000
H7 0.0000 -2.1662 0.3717   -2.1662 0.3717 0.0000
H8 0.8826 1.3212 -0.9030   1.3212 -0.9030 0.8826
H9 -0.8826 1.3212 -0.9030   1.3212 -0.9030 -0.8826
H10 -0.8826 -1.3212 -0.9030   -1.3212 -0.9030 -0.8826
H11 0.8826 -1.3212 -0.9030   -1.3212 -0.9030 0.8826
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9 H10 H11
C1 1.5264 1.5264 1.0947 1.0947 2.1764 2.1764 2.1750 2.1750 2.1750 2.1750
C2 1.5264 2.5478 2.1529 2.1529 1.0926 3.4974 1.0938 1.0938 2.8158 2.8158
C3 1.5264 2.5478 2.1529 2.1529 3.4974 1.0926 2.8158 2.8158 1.0938 1.0938
H4 1.0947 2.1529 2.1529 1.7501 2.4924 2.4924 2.5176 3.0705 3.0705 2.5176
H5 1.0947 2.1529 2.1529 1.7501 2.4924 2.4924 3.0705 2.5176 2.5176 3.0705
H6 2.1764 1.0926 3.4974 2.4924 2.4924 4.3325 1.7658 1.7658 3.8166 3.8166
H7 2.1764 3.4974 1.0926 2.4924 2.4924 4.3325 3.8166 3.8166 1.7658 1.7658
H8 2.1750 1.0938 2.8158 2.5176 3.0705 1.7658 3.8166 1.7653 3.1778 2.6425
H9 2.1750 1.0938 2.8158 3.0705 2.5176 1.7658 3.8166 1.7653 2.6425 3.1778
H10 2.1750 2.8158 1.0938 3.0705 2.5176 3.8166 1.7658 3.1778 2.6425 1.7653
H11 2.1750 2.8158 1.0938 2.5176 3.0705 3.8166 1.7658 2.6425 3.1778 1.7653
Maximum atom distance is 4.3325Å 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 113.137
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 111.325 C1 C2 H8 111.139
C1 C2 H9 111.139 C1 C3 H7 111.325
C1 C3 H10 111.139 C1 C3 H11 111.139
C2 C1 H4 109.334 C2 C1 H5 109.334
C3 C1 H4 109.334 C3 C1 H5 109.334
H4 C1 H5 106.130 H6 C2 H8 107.730
H6 C2 H9 107.730 H7 C3 H10 107.730
H7 C3 H11 107.730 H8 C2 H9 107.602
H10 C3 H11 107.602

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