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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

CID/6-311G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.5712 0.0000   0.5611 0.1068 0.0000
C2 -0.5974 -0.8087 0.0000   -0.6828 -0.7380 0.0000
C3 0.4536 -1.9050 0.0000   -1.9562 0.0895 0.0000
O4 -0.9481 1.5162 0.0000   1.6667 -0.6480 0.0000
O5 1.1624 0.8338 0.0000   0.6018 1.2978 0.0000
H6 -1.2514 -0.8797 0.8678   -0.6302 -1.3938 0.8678
H7 -1.2514 -0.8797 -0.8678   -0.6302 -1.3938 -0.8678
H8 -0.0197 -2.8834 0.0000   -2.8289 -0.5583 0.0000
H9 1.0918 -1.8337 -0.8755   -2.0054 0.7298 -0.8755
H10 1.0918 -1.8337 0.8755   -2.0054 0.7298 0.8755
H11 -0.5125 2.3650 0.0000   2.4191 -0.0614 0.0000
Atom - Atom Distances (Å)
  C1 C2 C3 O4 O5 H6 H7 H8 H9 H10 H11
C1 1.5037 2.5174 1.3387 1.1917 2.1033 2.1033 3.4546 2.7824 2.7824 1.8656
C2 1.5037 1.5187 2.3513 2.4072 1.0889 1.0889 2.1536 2.1611 2.1611 3.1749
C3 2.5174 1.5187 3.6972 2.8290 2.1706 2.1706 1.0868 1.0858 1.0858 4.3779
O4 1.3387 2.3513 3.6972 2.2181 2.5662 2.5662 4.4965 4.0186 4.0186 0.9540
O5 1.1917 2.4072 2.8290 2.2181 3.0847 3.0847 3.9006 2.8083 2.8083 2.2693
H6 2.1033 1.0889 2.1706 2.5662 3.0847 1.7355 2.5070 3.0724 2.5300 3.4390
H7 2.1033 1.0889 2.1706 2.5662 3.0847 1.7355 2.5070 2.5300 3.0724 3.4390
H8 3.4546 2.1536 1.0868 4.4965 3.9006 2.5070 2.5070 1.7617 1.7617 5.2715
H9 2.7824 2.1611 1.0858 4.0186 2.8083 3.0724 2.5300 1.7617 1.7509 4.5792
H10 2.7824 2.1611 1.0858 4.0186 2.8083 2.5300 3.0724 1.7617 1.7509 4.5792
H11 1.8656 3.1749 4.3779 0.9540 2.2693 3.4390 3.4390 5.2715 4.5792 4.5792
Maximum atom distance is 5.2715Å 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 112.800 C2 C1 O4 111.499
C2 C1 O5 126.138 O4 C1 O5 122.363
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 107.361 C1 C2 H7 107.361
C1 O4 H11 107.738 C2 C3 H8 110.394
C2 C3 H9 111.061 C2 C3 H10 111.061
C3 C2 H6 111.630 C3 C2 H7 111.630
H6 C2 H7 105.668 H8 C3 H9 108.368
H8 C3 H10 108.368 H9 C3 H10 107.477

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