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Geometry for CH2CHCH3 (Propene) 1A' CS

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

HSEh1PBE/6-31G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.1353 -0.4977 0.0000   -1.2283 -0.1667 0.0000
C2 0.0000 0.4741 0.0000   0.1302 0.4558 0.0000
C3 1.2889 0.1433 0.0000   1.2787 -0.2163 0.0000
H4 1.6071 -0.8968 0.0000   1.2990 -1.3038 0.0000
H5 2.0712 0.8960 0.0000   2.2377 0.2926 0.0000
H6 -0.2713 1.5302 0.0000   0.1594 1.5459 0.0000
H7 -0.7768 -1.5309 0.0000   -1.1674 -1.2587 0.0000
H8 -1.7760 -0.3582 0.8790   -1.8061 0.1434 0.8790
H9 -1.7760 -0.3582 -0.8790   -1.8061 0.1434 -0.8790
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.4944 2.5075 2.7713 3.4963 2.2042 1.0937 1.0966 1.0966
C2 1.4944 1.3307 2.1124 2.1138 1.0904 2.1502 2.1493 2.1493
C3 2.5075 1.3307 1.0877 1.0857 2.0876 2.6589 3.2276 3.2276
H4 2.7713 2.1124 1.0877 1.8520 3.0691 2.4668 3.5367 3.5367
H5 3.4963 2.1138 1.0857 1.8520 2.4269 3.7418 4.1409 4.1409
H6 2.2042 1.0904 2.0876 3.0691 2.4269 3.1026 2.5696 2.5696
H7 1.0937 2.1502 2.6589 2.4668 3.7418 3.1026 1.7738 1.7738
H8 1.0966 2.1493 3.2276 3.5367 4.1409 2.5696 1.7738 1.7579
H9 1.0966 2.1493 3.2276 3.5367 4.1409 2.5696 1.7738 1.7579
Maximum atom distance is 4.1409Å 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 125.042
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 116.154 C2 C1 H7 111.427
C2 C1 H8 111.172 C2 C1 H9 111.172
C2 C3 H4 121.407 C2 C3 H5 121.709
C3 C2 H6 118.803 H4 C3 H5 116.884
H7 C1 H8 108.161 H7 C1 H9 108.161
H8 C1 H9 106.553

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