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Geometry for CH3CH2COOH (Propanoic Acid) 1A' CS

1910171554
InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5) INChIKey=XBDQKXXYIPTUBI-UHFFFAOYSA-N

HF/STO-3G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.5746 0.0000   0.5634 0.1126 0.0000
C2 -0.6043 -0.8450 0.0000   -0.7102 -0.7582 0.0000
C3 0.4822 -1.9346 0.0000   -1.9916 0.0937 0.0000
O4 -0.9959 1.5472 0.0000   1.7123 -0.6733 0.0000
O5 1.1804 0.8671 0.0000   0.6189 1.3274 0.0000
H6 -1.2438 -0.9398 0.8764   -0.6778 -1.4039 0.8764
H7 -1.2438 -0.9398 -0.8764   -0.6778 -1.4039 -0.8764
H8 0.0246 -2.9192 0.0000   -2.8674 -0.5481 0.0000
H9 1.1123 -1.8459 -0.8796   -2.0281 0.7289 -0.8796
H10 1.1123 -1.8459 0.8796   -2.0281 0.7289 0.8796
H11 -0.5046 2.4067 0.0000   2.4589 -0.0232 0.0000
Atom - Atom Distances (Å)
  C1 C2 C3 O4 O5 H6 H7 H8 H9 H10 H11
C1 1.5428 2.5551 1.3920 1.2161 2.1467 2.1467 3.4939 2.8053 2.8053 1.9003
C2 1.5428 1.5387 2.4240 2.4731 1.0890 1.0890 2.1675 2.1731 2.1731 3.2532
C3 2.5551 1.5387 3.7825 2.8874 2.1764 2.1764 1.0858 1.0856 1.0856 4.4520
O4 1.3920 2.4240 3.7825 2.2800 2.6485 2.6485 4.5815 4.0903 4.0903 0.9900
O5 1.2161 2.4731 2.8874 2.2800 3.1479 3.1479 3.9588 2.8529 2.8529 2.2824
H6 2.1467 1.0890 2.1764 2.6485 3.1479 1.7527 2.5089 3.0750 2.5243 3.5374
H7 2.1467 1.0890 2.1764 2.6485 3.1479 1.7527 2.5089 2.5243 3.0750 3.5374
H8 3.4939 2.1675 1.0858 4.5815 3.9588 2.5089 2.5089 1.7632 1.7632 5.3521
H9 2.8053 2.1731 1.0856 4.0903 2.8529 3.0750 2.5243 1.7632 1.7593 4.6339
H10 2.8053 2.1731 1.0856 4.0903 2.8529 2.5243 3.0750 1.7632 1.7593 4.6339
H11 1.9003 3.2532 4.4520 0.9900 2.2824 3.5374 3.5374 5.3521 4.6339 4.6339
Maximum atom distance is 5.3521Å between atoms H8 and H11.
picture of Propanoic Acid
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C3 112.021 C2 C1 O4 111.263
C2 C1 O5 126.979 O4 C1 O5 121.758
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 108.066 C1 C2 H7 108.066
C1 O4 H11 104.575 C2 C3 H8 110.153
C2 C3 H9 110.609 C2 C3 H10 110.609
C3 C2 H6 110.670 C3 C2 H7 110.670
H6 C2 H7 107.170 H8 C3 H9 108.583
H8 C3 H10 108.583 H9 C3 H10 108.238

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