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Geometry for CH2CHCH3 (Propene) 1A' CS

1910171554
InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3 INChIKey=QQONPFPTGQHPMA-UHFFFAOYSA-N

B3LYP/6-31+G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.1415 -0.5023 0.0000   -1.2359 -0.1672 0.0000
C2 0.0000 0.4749 0.0000   0.1312 0.4564 0.0000
C3 1.2957 0.1468 0.0000   1.2858 -0.2171 0.0000
H4 1.6197 -0.8920 0.0000   1.3101 -1.3049 0.0000
H5 2.0744 0.9039 0.0000   2.2435 0.2954 0.0000
H6 -0.2726 1.5311 0.0000   0.1612 1.5468 0.0000
H7 -0.7838 -1.5369 0.0000   -1.1780 -1.2604 0.0000
H8 -1.7815 -0.3611 0.8803   -1.8119 0.1453 0.8803
H9 -1.7815 -0.3611 -0.8803   -1.8119 0.1453 -0.8803
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.5026 2.5221 2.7886 3.5099 2.2112 1.0947 1.0975 1.0975
C2 1.5026 1.3366 2.1194 2.1184 1.0908 2.1590 2.1558 2.1558
C3 2.5221 1.3366 1.0881 1.0861 2.0919 2.6756 3.2407 3.2407
H4 2.7886 2.1194 1.0881 1.8526 3.0744 2.4885 3.5532 3.5532
H5 3.5099 2.1184 1.0861 1.8526 2.4294 3.7586 4.1525 4.1525
H6 2.2112 1.0908 2.0919 3.0744 2.4294 3.1102 2.5752 2.5752
H7 1.0947 2.1590 2.6756 2.4885 3.7586 3.1102 1.7756 1.7756
H8 1.0975 2.1558 3.2407 3.5532 4.1525 2.5752 1.7756 1.7607
H9 1.0975 2.1558 3.2407 3.5532 4.1525 2.5752 1.7756 1.7607
Maximum atom distance is 4.1525Å between atoms H5 and H8.
picture of Propene
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C3 125.227
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 116.091 C2 C1 H7 111.489
C2 C1 H8 111.060 C2 C1 H9 111.060
C2 C3 H4 121.532 C2 C3 H5 121.597
C3 C2 H6 118.682 H4 C3 H5 116.871
H7 C1 H8 108.188 H7 C1 H9 108.188
H8 C1 H9 106.668

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