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Geometry for C3H8 (Propane) 1A1 C2V

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

MP4/6-311G**


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.5920   0.5920 0.0000 0.0000
C2 0.0000 1.2748 -0.2620   -0.2620 0.0000 1.2748
C3 0.0000 -1.2748 -0.2620   -0.2620 0.0000 -1.2748
H4 0.8816 0.0000 1.2489   1.2489 0.8816 0.0000
H5 -0.8816 0.0000 1.2489   1.2489 -0.8816 0.0000
H6 0.0000 2.1764 0.3634   0.3634 0.0000 2.1764
H7 0.0000 -2.1764 0.3634   0.3634 0.0000 -2.1764
H8 0.8876 1.3091 -0.9080   -0.9080 0.8876 1.3091
H9 -0.8876 1.3091 -0.9080   -0.9080 -0.8876 1.3091
H10 -0.8876 -1.3091 -0.9080   -0.9080 -0.8876 -1.3091
H11 0.8876 -1.3091 -0.9080   -0.9080 0.8876 -1.3091
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9 H10 H11
C1 1.5344 1.5344 1.0994 1.0994 2.1884 2.1884 2.1798 2.1798 2.1798 2.1798
C2 1.5344 2.5497 2.1645 2.1645 1.0973 3.5075 1.0984 1.0984 2.8075 2.8075
C3 1.5344 2.5497 2.1645 2.1645 3.5075 1.0973 2.8075 2.8075 1.0984 1.0984
H4 1.0994 2.1645 2.1645 1.7631 2.5096 2.5096 2.5231 3.0815 3.0815 2.5231
H5 1.0994 2.1645 2.1645 1.7631 2.5096 2.5096 3.0815 2.5231 2.5231 3.0815
H6 2.1884 1.0973 3.5075 2.5096 2.5096 4.3529 1.7767 1.7767 3.8149 3.8149
H7 2.1884 3.5075 1.0973 2.5096 2.5096 4.3529 3.8149 3.8149 1.7767 1.7767
H8 2.1798 1.0984 2.8075 2.5231 3.0815 1.7767 3.8149 1.7753 3.1633 2.6181
H9 2.1798 1.0984 2.8075 3.0815 2.5231 1.7767 3.8149 1.7753 2.6181 3.1633
H10 2.1798 2.8075 1.0984 3.0815 2.5231 3.8149 1.7767 3.1633 2.6181 1.7753
H11 2.1798 2.8075 1.0984 2.5231 3.0815 3.8149 1.7767 2.6181 3.1633 1.7753
Maximum atom distance is 4.3529Å 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 112.367
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 111.434 C1 C2 H8 110.684
C1 C2 H9 110.684 C1 C3 H7 111.434
C1 C3 H10 110.684 C1 C3 H11 110.684
C2 C1 H4 109.423 C2 C1 H5 109.423
C3 C1 H4 109.423 C3 C1 H5 109.423
H4 C1 H5 106.616 H6 C2 H8 108.038
H6 C2 H9 108.038 H7 C3 H10 108.038
H7 C3 H11 108.038 H8 C2 H9 107.829
H10 C3 H11 107.829

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