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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/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 0.5924   0.5924 0.0000 0.0000
C2 0.0000 1.2761 -0.2619   -0.2619 0.0000 1.2761
C3 0.0000 -1.2761 -0.2619   -0.2619 0.0000 -1.2761
H4 0.8872 0.0000 1.2572   1.2572 0.8872 0.0000
H5 -0.8872 0.0000 1.2572   1.2572 -0.8872 0.0000
H6 0.0000 2.1865 0.3662   0.3662 0.0000 2.1865
H7 0.0000 -2.1865 0.3662   0.3662 0.0000 -2.1865
H8 0.8937 1.3135 -0.9147   -0.9147 0.8937 1.3135
H9 -0.8937 1.3135 -0.9147   -0.9147 -0.8937 1.3135
H10 -0.8937 -1.3135 -0.9147   -0.9147 -0.8937 -1.3135
H11 0.8937 -1.3135 -0.9147   -0.9147 0.8937 -1.3135
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9 H10 H11
C1 1.5357 1.5357 1.1087 1.1087 2.1982 2.1982 2.1898 2.1898 2.1898 2.1898
C2 1.5357 2.5523 2.1733 2.1733 1.1060 3.5192 1.1074 1.1074 2.8162 2.8162
C3 1.5357 2.5523 2.1733 2.1733 3.5192 1.1060 2.8162 2.8162 1.1074 1.1074
H4 1.1087 2.1733 2.1733 1.7743 2.5223 2.5223 2.5383 3.1007 3.1007 2.5383
H5 1.1087 2.1733 2.1733 1.7743 2.5223 2.5223 3.1007 2.5383 2.5383 3.1007
H6 2.1982 1.1060 3.5192 2.5223 2.5223 4.3730 1.7893 1.7893 3.8327 3.8327
H7 2.1982 3.5192 1.1060 2.5223 2.5223 4.3730 3.8327 3.8327 1.7893 1.7893
H8 2.1898 1.1074 2.8162 2.5383 3.1007 1.7893 3.8327 1.7874 3.1774 2.6270
H9 2.1898 1.1074 2.8162 3.1007 2.5383 1.7893 3.8327 1.7874 2.6270 3.1774
H10 2.1898 2.8162 1.1074 3.1007 2.5383 3.8327 1.7893 3.1774 2.6270 1.7874
H11 2.1898 2.8162 1.1074 2.5383 3.1007 3.8327 1.7893 2.6270 3.1774 1.7874
Maximum atom distance is 4.3730Å 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 112.406
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 111.599 C1 C2 H8 110.853
C1 C2 H9 110.853 C1 C3 H7 111.599
C1 C3 H10 110.853 C1 C3 H11 110.853
C2 C1 H4 109.487 C2 C1 H5 109.487
C3 C1 H4 109.487 C3 C1 H5 109.487
H4 C1 H5 106.301 H6 C2 H8 107.880
H6 C2 H9 107.880 H7 C3 H10 107.880
H7 C3 H11 107.880 H8 C2 H9 107.613
H10 C3 H11 107.613

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