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Geometry for CH2CHCH3 (Propene) 1A' CS

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

PBE1PBE/cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.1372 -0.4959 0.0000   -1.2293 -0.1671 0.0000
C2 0.0000 0.4719 0.0000   0.1286 0.4541 0.0000
C3 1.2920 0.1417 0.0000   1.2817 -0.2158 0.0000
H4 1.6124 -0.9051 0.0000   1.3047 -1.3103 0.0000
H5 2.0761 0.9024 0.0000   2.2435 0.3024 0.0000
H6 -0.2705 1.5355 0.0000   0.1582 1.5511 0.0000
H7 -0.7835 -1.5376 0.0000   -1.1730 -1.2658 0.0000
H8 -1.7818 -0.3509 0.8833   -1.8100 0.1481 0.8833
H9 -1.7818 -0.3509 -0.8833   -1.8100 0.1481 -0.8833
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.4933 2.5115 2.7799 3.5044 2.2085 1.1001 1.1031 1.1031
C2 1.4933 1.3336 2.1204 2.1203 1.0974 2.1569 2.1522 2.1522
C3 2.5115 1.3336 1.0947 1.0925 2.0938 2.6699 3.2360 3.2360
H4 2.7799 2.1204 1.0947 1.8661 3.0825 2.4780 3.5508 3.5508
H5 3.5044 2.1203 1.0925 1.8661 2.4305 3.7592 4.1515 4.1515
H6 2.2085 1.0974 2.0938 3.0825 2.4305 3.1156 2.5734 2.5734
H7 1.1001 2.1569 2.6699 2.4780 3.7592 3.1156 1.7847 1.7847
H8 1.1031 2.1522 3.2360 3.5508 4.1515 2.5734 1.7847 1.7666
H9 1.1031 2.1522 3.2360 3.5508 4.1515 2.5734 1.7847 1.7666
Maximum atom distance is 4.1515Å 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 125.262
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 116.129 C2 C1 H7 111.649
C2 C1 H8 111.092 C2 C1 H9 111.092
C2 C3 H4 121.355 C2 C3 H5 121.527
C3 C2 H6 118.609 H4 C3 H5 117.118
H7 C1 H8 108.199 H7 C1 H9 108.199
H8 C1 H9 106.402

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