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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

HF/CEP-31G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.5960 0.4430 0.2949   -0.5953 -0.3997 0.3526
C2 -0.6732 -0.3793 0.2463   0.6633 0.4249 0.1930
C3 -1.8455 0.0927 -0.2153   1.8502 -0.0957 -0.1680
O4 1.6321 -0.2902 -0.3369   -1.6294 0.2056 -0.4053
H5 0.4410 1.4043 -0.1991   -0.4180 -1.4251 0.0218
H6 0.8619 0.6352 1.3395   -0.8778 -0.4264 1.4101
H7 -0.5994 -1.3920 0.6209   0.5687 1.4832 0.3989
H8 -2.7377 -0.5222 -0.2089   2.7337 0.5269 -0.2460
H9 -1.9437 1.0962 -0.6100   1.9694 -1.1477 -0.3948
H10 2.4570 0.1620 -0.2024   -2.4504 -0.2327 -0.2132
Atom - Atom Distances (Å)
  C1 C2 C3 O4 H5 H6 H7 H8 H9 H10
C1 1.5131 2.5187 1.4177 1.0919 1.0949 2.2142 3.5070 2.7741 1.9466
C2 1.5131 1.3454 2.3795 2.1497 2.1403 1.0823 2.1189 2.1271 3.2082
C3 2.5187 1.3454 3.5007 2.6360 3.1689 2.1110 1.0836 1.0828 4.3030
O4 1.4177 2.3795 3.5007 2.0758 2.0639 2.6666 4.3778 3.8448 0.9503
H5 1.0919 2.1497 2.6360 2.0758 1.7709 3.0942 3.7169 2.4393 2.3680
H6 1.0949 2.1403 3.1689 2.0639 1.7709 2.6003 4.0858 3.4474 2.2684
H7 2.2142 1.0823 2.1110 2.6666 3.0942 2.6003 2.4531 3.0844 3.5262
H8 3.5070 2.1189 1.0836 4.3778 3.7169 4.0858 2.4531 1.8468 5.2395
H9 2.7741 2.1271 1.0828 3.8448 2.4393 3.4474 3.0844 1.8468 4.5171
H10 1.9466 3.2082 4.3030 0.9503 2.3680 2.2684 3.5262 5.2395 4.5171
Maximum atom distance is 5.2395Å 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 123.450 C2 C1 O4 108.518
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 116.118 C1 O4 H10 108.975
C2 C1 H5 110.172 C2 C1 H6 109.250
C2 C3 H8 121.085 C2 C3 H9 121.952
C3 C2 H7 120.428 O4 C1 H5 110.944
O4 C1 H6 109.786 H5 C1 H6 108.155
H8 C3 H9 116.963

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