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Geometry for CH2CHCH3 (Propene) 1A' CS

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

QCISD(T)/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.1461 -0.4951 0.0000   1.2391 0.1534 0.0000
C2 0.0000 0.4816 0.0000   -0.1352 -0.4622 0.0000
C3 1.2984 0.1348 0.0000   -1.2840 0.2352 0.0000
H4 1.6109 -0.9106 0.0000   -1.2904 1.3263 0.0000
H5 2.0919 0.8812 0.0000   -2.2551 -0.2584 0.0000
H6 -0.2669 1.5424 0.0000   -0.1770 -1.5553 0.0000
H7 -0.7804 -1.5303 0.0000   1.1788 1.2496 0.0000
H8 -1.7844 -0.3553 0.8847   1.8124 -0.1600 0.8847
H9 -1.7844 -0.3553 -0.8847   1.8124 -0.1600 -0.8847
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.5059 2.5244 2.7882 3.5184 2.2192 1.0979 1.0998 1.0998
C2 1.5059 1.3439 2.1292 2.1297 1.0939 2.1580 2.1604 2.1604
C3 2.5244 1.3439 1.0912 1.0894 2.1050 2.6635 3.2444 3.2444
H4 2.7882 2.1292 1.0912 1.8552 3.0892 2.4704 3.5523 3.5523
H5 3.5184 2.1297 1.0894 1.8552 2.4496 3.7504 4.1638 4.1638
H6 2.2192 1.0939 2.1050 3.0892 2.4496 3.1154 2.5859 2.5859
H7 1.0979 2.1580 2.6635 2.4704 3.7504 3.1154 1.7808 1.7808
H8 1.0998 2.1604 3.2444 3.5523 4.1638 2.5859 1.7808 1.7694
H9 1.0998 2.1604 3.2444 3.5523 4.1638 2.5859 1.7808 1.7694
Maximum atom distance is 4.1638Å 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 124.609
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 116.317 C2 C1 H7 110.980
C2 C1 H8 111.053 C2 C1 H9 111.053
C2 C3 H4 121.599 C2 C3 H5 121.800
C3 C2 H6 119.074 H4 C3 H5 116.601
H7 C1 H8 108.250 H7 C1 H9 108.250
H8 C1 H9 107.106

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