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Geometry for CH2CHCH3 (Propene) 1A' CS

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

MP2/3-21G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.1482 -0.5101 0.0000   -1.2450 -0.1689 0.0000
C2 0.0000 0.4867 0.0000   0.1360 0.4673 0.0000
C3 1.2984 0.1480 0.0000   1.2881 -0.2208 0.0000
H4 1.6157 -0.8921 0.0000   1.3020 -1.3081 0.0000
H5 2.0869 0.8943 0.0000   2.2537 0.2754 0.0000
H6 -0.2812 1.5390 0.0000   0.1601 1.5562 0.0000
H7 -0.7621 -1.5356 0.0000   -1.1609 -1.2614 0.0000
H8 -1.7803 -0.3766 0.8861   -1.8146 0.1359 0.8861
H9 -1.7803 -0.3766 -0.8861   -1.8146 0.1359 -0.8861
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.5206 2.5336 2.7902 3.5268 2.2250 1.0957 1.0965 1.0965
C2 1.5206 1.3419 2.1241 2.1263 1.0892 2.1611 2.1679 2.1679
C3 2.5336 1.3419 1.0874 1.0857 2.1048 2.6609 3.2464 3.2464
H4 2.7902 2.1241 1.0874 1.8475 3.0835 2.4634 3.5473 3.5473
H5 3.5268 2.1263 1.0857 1.8475 2.4543 3.7445 4.1660 4.1660
H6 2.2250 1.0892 2.1048 3.0835 2.4543 3.1119 2.5888 2.5888
H7 1.0957 2.1611 2.6609 2.4634 3.7445 3.1119 1.7790 1.7790
H8 1.0965 2.1679 3.2464 3.5473 4.1660 2.5888 1.7790 1.7722
H9 1.0965 2.1679 3.2464 3.5473 4.1660 2.5888 1.7790 1.7722
Maximum atom distance is 4.1660Å 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 124.417
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 116.001 C2 C1 H7 110.330
C2 C1 H8 110.822 C2 C1 H9 110.822
C2 C3 H4 121.586 C2 C3 H5 121.952
C3 C2 H6 119.582 H4 C3 H5 116.461
H7 C1 H8 108.481 H7 C1 H9 108.481
H8 C1 H9 107.815

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