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Geometry for CH2CHCH3 (Propene) 1A' CS

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

SVWN/6-31G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.1317 -0.4817 0.0000   1.2195 0.1600 0.0000
C2 0.0000 0.4736 0.0000   -0.1272 -0.4562 0.0000
C3 1.2861 0.1279 0.0000   -1.2732 0.2223 0.0000
H4 1.5866 -0.9272 0.0000   -1.2792 1.3193 0.0000
H5 2.0870 0.8734 0.0000   -2.2450 -0.2807 0.0000
H6 -0.2616 1.5420 0.0000   -0.1622 -1.5556 0.0000
H7 -0.7767 -1.5254 0.0000   1.1579 1.2607 0.0000
H8 -1.7811 -0.3408 0.8830   1.8072 -0.1501 0.8830
H9 -1.7811 -0.3408 -0.8830   1.8072 -0.1501 -0.8830
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.4810 2.4935 2.7545 3.4923 2.2028 1.1024 1.1051 1.1051
C2 1.4810 1.3318 2.1165 2.1250 1.0999 2.1446 2.1483 2.1483
C3 2.4935 1.3318 1.0970 1.0942 2.0965 2.6436 3.2260 3.2260
H4 2.7545 2.1165 1.0970 1.8689 3.0842 2.4378 3.5305 3.5305
H5 3.4923 2.1250 1.0942 1.8689 2.4419 3.7357 4.1493 4.1493
H6 2.2028 1.0999 2.0965 3.0842 2.4419 3.1104 2.5756 2.5756
H7 1.1024 2.1446 2.6436 2.4378 3.7357 3.1104 1.7865 1.7865
H8 1.1051 2.1483 3.2260 3.5305 4.1493 2.5756 1.7865 1.7660
H9 1.1051 2.1483 3.2260 3.5305 4.1493 2.5756 1.7865 1.7660
Maximum atom distance is 4.1493Å 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 124.786
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 116.411 C2 C1 H7 111.385
C2 C1 H8 111.521 C2 C1 H9 111.521
C2 C3 H4 120.938 C2 C3 H5 122.005
C3 C2 H6 118.803 H4 C3 H5 117.057
H7 C1 H8 108.052 H7 C1 H9 108.052
H8 C1 H9 106.072

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