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Geometry for CH2CHCH3 (Propene) 1A' CS

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

M06-2X/aug-cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.1311 -0.5027 0.0000   1.2256 0.1728 0.0000
C2 0.0000 0.4756 0.0000   -0.1306 -0.4573 0.0000
C3 1.2828 0.1471 0.0000   -1.2738 0.2108 0.0000
H4 1.5960 -0.8903 0.0000   -1.2902 1.2943 0.0000
H5 2.0597 0.8992 0.0000   -2.2274 -0.2991 0.0000
H6 -0.2711 1.5268 0.0000   -0.1586 -1.5426 0.0000
H7 -0.7623 -1.5274 0.0000   1.1524 1.2594 0.0000
H8 -1.7662 -0.3641 0.8766   1.7983 -0.1348 0.8766
H9 -1.7662 -0.3641 -0.8766   1.7983 -0.1348 -0.8766
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.4955 2.4998 2.7544 3.4851 2.2042 1.0890 1.0913 1.0913
C2 1.4955 1.3241 2.1006 2.1028 1.0856 2.1431 2.1431 2.1431
C3 2.4998 1.3241 1.0836 1.0813 2.0780 2.6431 3.2134 3.2134
H4 2.7544 2.1006 1.0836 1.8486 3.0542 2.4428 3.5142 3.5142
H5 3.4851 2.1028 1.0813 1.8486 2.4138 3.7218 4.1233 4.1233
H6 2.2042 1.0856 2.0780 3.0542 2.4138 3.0934 2.5650 2.5650
H7 1.0890 2.1431 2.6431 2.4428 3.7218 3.0934 1.7690 1.7690
H8 1.0913 2.1431 3.2134 3.5142 4.1233 2.5650 1.7690 1.7531
H9 1.0913 2.1431 3.2134 3.5142 4.1233 2.5650 1.7690 1.7531
Maximum atom distance is 4.1233Å 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 124.780
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 116.398 C2 C1 H7 111.064
C2 C1 H8 110.923 C2 C1 H9 110.923
C2 C3 H4 121.164 C2 C3 H5 121.568
C3 C2 H6 118.822 H4 C3 H5 117.268
H7 C1 H8 108.455 H7 C1 H9 108.455
H8 C1 H9 106.878

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