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Geometry for C3H6O (2-Propen-1-ol) 1A C1

1910171554
InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2 INChIKey=XXROGKLTLUQVRX-UHFFFAOYSA-N

B2PLYP/6-31G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.5873 0.4566 0.2825   -0.5878 -0.3997 0.3579
C2 -0.6666 -0.3610 0.2538   0.6563 0.4159 0.1881
C3 -1.8361 0.0757 -0.2162   1.8412 -0.0875 -0.1610
O4 1.6260 -0.3077 -0.3304   -1.6219 0.2075 -0.4171
H5 0.4246 1.4106 -0.2392   -0.4019 -1.4366 0.0436
H6 0.8486 0.6910 1.3263   -0.8693 -0.4221 1.4222
H7 -0.5761 -1.3644 0.6632   0.5444 1.4797 0.3838
H8 -2.7274 -0.5415 -0.1928   2.7241 0.5363 -0.2461
H9 -1.9436 1.0696 -0.6408   1.9704 -1.1449 -0.3731
H10 2.4584 0.1684 -0.1942   -2.4512 -0.2448 -0.2033
Atom - Atom Distances (Å)
  C1 C2 C3 O4 H5 H6 H7 H8 H9 H10
C1 1.4973 2.5034 1.4278 1.0994 1.1012 2.1942 3.4942 2.7630 1.9522
C2 1.4973 1.3339 2.3664 2.1383 2.1337 1.0874 2.1163 2.1160 3.2010
C3 2.5034 1.3339 3.4851 2.6255 3.1568 2.1059 1.0844 1.0861 4.2955
O4 1.4278 2.3664 3.4851 2.0986 2.0848 2.6368 4.3618 3.8387 0.9686
H5 1.0994 2.1383 2.6255 2.0986 1.7744 3.0848 3.7078 2.4262 2.3835
H6 1.1012 2.1337 3.1568 2.0848 1.7744 2.5873 4.0761 3.4365 2.2751
H7 2.1942 1.0874 2.1059 2.6368 3.0848 2.5873 2.4572 3.0813 3.5061
H8 3.4942 2.1163 1.0844 4.3618 3.7078 4.0761 2.4572 1.8468 5.2341
H9 2.7630 2.1160 1.0861 3.8387 2.4262 3.4365 3.0813 1.8468 4.5155
H10 1.9522 3.2010 4.2955 0.9686 2.3835 2.2751 3.5061 5.2341 4.5155
Maximum atom distance is 5.2341Å between atoms H8 and H10.
picture of 2-Propen-1-ol
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C3 124.211 C2 C1 O4 107.977
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 115.274 C1 O4 H10 107.558
C2 C1 H5 109.927 C2 C1 H6 109.457
C2 C3 H8 121.781 C2 C3 H9 121.610
C3 C2 H7 120.510 O4 C1 H5 111.620
O4 C1 H6 110.377 H5 C1 H6 107.474
H8 C3 H9 116.609

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