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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/LANL2DZ


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.5763 0.4873 0.2500   0.5644 0.5268 0.1897
C2 -0.6673 -0.3545 0.2341   -0.6648 -0.3322 0.2711
C3 -1.8581 0.0588 -0.1975   -1.8557 -0.0024 -0.2267
O4 1.6506 -0.3159 -0.2831   1.6596 -0.3204 -0.2176
H5 0.4421 1.3857 -0.3412   0.4241 1.3355 -0.5181
H6 0.8136 0.7778 1.2698   0.7817 0.9553 1.1643
H7 -0.5409 -1.3505 0.6180   -0.5275 -1.2655 0.7864
H8 -2.7188 -0.5822 -0.1624   -2.7060 -0.6486 -0.1169
H9 -2.0102 1.0432 -0.6030   -2.0181 0.9161 -0.7622
H10 2.5047 0.1039 -0.2368   2.5058 0.1173 -0.2173
Atom - Atom Distances (Å)
  C1 C2 C3 O4 H5 H6 H7 H8 H9 H10
C1 1.5018 2.5120 1.4433 1.0838 1.0865 2.1819 3.4887 2.7797 2.0255
C2 1.5018 1.3323 2.3752 2.1424 2.1326 1.0749 2.1018 2.1113 3.2394
C3 2.5120 1.3323 3.5297 2.6594 3.1318 2.0943 1.0737 1.0755 4.3632
O4 1.4433 2.3752 3.5297 2.0878 2.0756 2.5855 4.3791 3.9180 0.9528
H5 1.0838 2.1424 2.6594 2.0878 1.7615 3.0615 3.7277 2.4899 2.4307
H6 1.0865 2.1326 3.1318 2.0756 1.7615 2.6056 4.0470 3.3988 2.3630
H7 2.1819 1.0749 2.0943 2.5855 3.0615 2.6056 2.4377 3.0626 3.4815
H8 3.4887 2.1018 1.0737 4.3791 3.7277 4.0470 2.4377 1.8270 5.2688
H9 2.7797 2.1113 1.0755 3.9180 2.4899 3.3988 3.0626 1.8270 4.6261
H10 2.0255 3.2394 4.3632 0.9528 2.4307 2.3630 3.4815 5.2688 4.6261
Maximum atom distance is 5.2688Å 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 124.731 C2 C1 O4 107.490
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 114.716 C1 O4 H10 113.837
C2 C1 H5 110.871 C2 C1 H6 109.919
C2 C3 H8 121.379 C2 C3 H9 122.171
C3 C2 H7 120.548 O4 C1 H5 110.604
O4 C1 H6 109.444 H5 C1 H6 108.503
H8 C3 H9 116.449

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