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Geometry for C3H8 (Propane) 1A1 C2V

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

CID/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 0.5865   0.0000 0.5865 0.0000
C2 0.0000 1.2692 -0.2599   1.2692 -0.2599 0.0000
C3 0.0000 -1.2692 -0.2599   -1.2692 -0.2599 0.0000
H4 0.8744 0.0000 1.2426   0.0000 1.2426 0.8744
H5 -0.8744 0.0000 1.2426   0.0000 1.2426 -0.8744
H6 0.0000 2.1649 0.3634   2.1649 0.3634 0.0000
H7 0.0000 -2.1649 0.3634   -2.1649 0.3634 0.0000
H8 0.8815 1.3091 -0.9031   1.3091 -0.9031 0.8815
H9 -0.8815 1.3091 -0.9031   1.3091 -0.9031 -0.8815
H10 -0.8815 -1.3091 -0.9031   -1.3091 -0.9031 -0.8815
H11 0.8815 -1.3091 -0.9031   -1.3091 -0.9031 0.8815
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9 H10 H11
C1 1.5255 1.5255 1.0932 1.0932 2.1763 2.1763 2.1702 2.1702 2.1702 2.1702
C2 1.5255 2.5383 2.1524 2.1524 1.0912 3.4901 1.0920 1.0920 2.7997 2.7997
C3 1.5255 2.5383 2.1524 2.1524 3.4901 1.0912 2.7997 2.7997 1.0920 1.0920
H4 1.0932 2.1524 2.1524 1.7489 2.4948 2.4948 2.5135 3.0662 3.0662 2.5135
H5 1.0932 2.1524 2.1524 1.7489 2.4948 2.4948 3.0662 2.5135 2.5135 3.0662
H6 2.1763 1.0912 3.4901 2.4948 2.4948 4.3297 1.7646 1.7646 3.8012 3.8012
H7 2.1763 3.4901 1.0912 2.4948 2.4948 4.3297 3.8012 3.8012 1.7646 1.7646
H8 2.1702 1.0920 2.7997 2.5135 3.0662 1.7646 3.8012 1.7631 3.1564 2.6181
H9 2.1702 1.0920 2.7997 3.0662 2.5135 1.7646 3.8012 1.7631 2.6181 3.1564
H10 2.1702 2.7997 1.0920 3.0662 2.5135 3.8012 1.7646 3.1564 2.6181 1.7631
H11 2.1702 2.7997 1.0920 2.5135 3.0662 3.8012 1.7646 2.6181 3.1564 1.7631
Maximum atom distance is 4.3297Å 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 112.606
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 111.471 C1 C2 H8 110.930
C1 C2 H9 110.930 C1 C3 H7 111.471
C1 C3 H10 110.930 C1 C3 H11 110.930
C2 C1 H4 109.449 C2 C1 H5 109.449
C3 C1 H4 109.449 C3 C1 H5 109.449
H4 C1 H5 106.237 H6 C2 H8 107.847
H6 C2 H9 107.847 H7 C3 H10 107.847
H7 C3 H11 107.847 H8 C2 H9 107.656
H10 C3 H11 107.656

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