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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

CISD/3-21G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.5723 0.5076 0.2226   0.5601 0.5392 0.1740
C2 -0.6655 -0.3598 0.2151   -0.6619 -0.3477 0.2444
C3 -1.8675 0.0496 -0.1795   -1.8654 -0.0056 -0.2055
O4 1.6687 -0.3370 -0.2564   1.6778 -0.3301 -0.1997
H5 0.4181 1.3856 -0.4158   0.3988 1.3415 -0.5559
H6 0.7672 0.8600 1.2439   0.7347 1.0017 1.1543
H7 -0.5041 -1.3655 0.5859   -0.4876 -1.3051 0.7218
H8 -2.7340 -0.5983 -0.1415   -2.7207 -0.6624 -0.1089
H9 -2.0366 1.0500 -0.5643   -2.0472 0.9448 -0.6963
H10 2.5041 0.1797 -0.2060   2.5031 0.2050 -0.1947
Atom - Atom Distances (Å)
  C1 C2 C3 O4 H5 H6 H7 H8 H9 H10
C1 1.5116 2.5148 1.4644 1.0965 1.0979 2.1907 3.5053 2.7785 2.0057
C2 1.5116 1.3297 2.3814 2.1491 2.1446 1.0839 2.1125 2.1154 3.2427
C3 2.5148 1.3297 3.5580 2.6579 3.1023 2.1088 1.0826 1.0850 4.3736
O4 1.4644 2.3814 3.5580 2.1346 2.1205 2.5472 4.4119 3.9683 0.9836
H5 1.0965 2.1491 2.6579 2.1346 1.7757 3.0696 3.7345 2.4820 2.4186
H6 1.0979 2.1446 3.1023 2.1205 1.7757 2.6462 4.0379 3.3417 2.3626
H7 2.1907 1.0839 2.1088 2.5472 3.0696 2.6462 2.4678 3.0831 3.4734
H8 3.5053 2.1125 1.0826 4.4119 3.7345 4.0379 2.4678 1.8389 5.2960
H9 2.7785 2.1154 1.0850 3.9683 2.4820 3.3417 3.0831 1.8389 4.6372
H10 2.0057 3.2427 4.3736 0.9836 2.4186 2.3626 3.4734 5.2960 4.6372
Maximum atom distance is 5.2960Å 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 124.403 C2 C1 O4 106.290
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 114.129 C1 O4 H10 108.427
C2 C1 H5 109.962 C2 C1 H6 109.523
C2 C3 H8 121.923 C2 C3 H9 122.011
C3 C2 H7 121.456 O4 C1 H5 112.130
O4 C1 H6 110.887 H5 C1 H6 108.033
H8 C3 H9 116.065

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