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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

B97D3/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.5734 0.0000   0.5628 0.1097 0.0000
C2 -0.6002 -0.8212 0.0000   -0.6913 -0.7462 0.0000
C3 0.4607 -1.9229 0.0000   -1.9755 0.0845 0.0000
O4 -0.9779 1.5319 0.0000   1.6907 -0.6669 0.0000
O5 1.1864 0.8481 0.0000   0.6055 1.3267 0.0000
H6 -1.2636 -0.8991 0.8764   -0.6408 -1.4122 0.8764
H7 -1.2636 -0.8991 -0.8764   -0.6408 -1.4122 -0.8764
H8 -0.0160 -2.9129 0.0000   -2.8561 -0.5728 0.0000
H9 1.1056 -1.8457 -0.8852   -2.0230 0.7322 -0.8852
H10 1.1056 -1.8457 0.8852   -2.0230 0.7322 0.8852
H11 -0.4988 2.3869 0.0000   2.4382 -0.0331 0.0000
Atom - Atom Distances (Å)
  C1 C2 C3 O4 O5 H6 H7 H8 H9 H10 H11
C1 1.5183 2.5385 1.3693 1.2178 2.1291 2.1291 3.4864 2.8032 2.8032 1.8808
C2 1.5183 1.5295 2.3832 2.4451 1.1019 1.1019 2.1718 2.1778 2.1778 3.2097
C3 2.5385 1.5295 3.7424 2.8644 2.1885 2.1885 1.0988 1.0979 1.0979 4.4153
O4 1.3693 2.3832 3.7424 2.2698 2.5999 2.5999 4.5477 4.0660 4.0660 0.9800
O5 1.2178 2.4451 2.8644 2.2698 3.1342 3.1342 3.9485 2.8366 2.8366 2.2821
H6 2.1291 1.1019 2.1885 2.5999 3.1342 1.7528 2.5259 3.1004 2.5513 3.4857
H7 2.1291 1.1019 2.1885 2.5999 3.1342 1.7528 2.5259 2.5513 3.1004 3.4857
H8 3.4864 2.1718 1.0988 4.5477 3.9485 2.5259 2.5259 1.7834 1.7834 5.3217
H9 2.8032 2.1778 1.0979 4.0660 2.8366 3.1004 2.5513 1.7834 1.7704 4.6122
H10 2.8032 2.1778 1.0979 4.0660 2.8366 2.5513 3.1004 1.7834 1.7704 4.6122
H11 1.8808 3.2097 4.4153 0.9800 2.2821 3.4857 3.4857 5.3217 4.6122 4.6122
Maximum atom distance is 5.3217Å 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 112.761 C2 C1 O4 111.068
C2 C1 O5 126.161 O4 C1 O5 122.771
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 107.674 C1 C2 H7 107.674
C1 O4 H11 105.388 C2 C3 H8 110.405
C2 C3 H9 110.875 C2 C3 H10 110.875
C3 C2 H6 111.541 C3 C2 H7 111.541
H6 C2 H7 105.263 H8 C3 H9 108.525
H8 C3 H10 108.525 H9 C3 H10 107.538

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