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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

B3LYP/CEP-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.5766 0.0000   0.5665 0.1075 0.0000
C2 -0.6088 -0.8281 0.0000   -0.7001 -0.7526 0.0000
C3 0.4618 -1.9395 0.0000   -1.9916 0.0920 0.0000
O4 -0.9755 1.5436 0.0000   1.6984 -0.6706 0.0000
O5 1.1914 0.8566 0.0000   0.6195 1.3303 0.0000
H6 -1.2698 -0.8984 0.8817   -0.6459 -1.4151 0.8817
H7 -1.2698 -0.8984 -0.8817   -0.6459 -1.4151 -0.8817
H8 -0.0217 -2.9314 0.0000   -2.8759 -0.5679 0.0000
H9 1.1085 -1.8641 -0.8893   -2.0381 0.7414 -0.8893
H10 1.1085 -1.8641 0.8893   -2.0381 0.7414 0.8893
H11 -0.5010 2.4007 0.0000   2.4520 -0.0445 0.0000
Atom - Atom Distances (Å)
  C1 C2 C3 O4 O5 H6 H7 H8 H9 H10 H11
C1 1.5310 2.5581 1.3735 1.2239 2.1367 2.1367 3.5080 2.8242 2.8242 1.8917
C2 1.5310 1.5432 2.3999 2.4656 1.1042 1.1042 2.1837 2.1939 2.1939 3.2306
C3 2.5581 1.5432 3.7679 2.8898 2.2044 2.2044 1.1035 1.1022 1.1022 4.4457
O4 1.3735 2.3999 3.7679 2.2732 2.6129 2.6129 4.5754 4.0921 4.0921 0.9797
O5 1.2239 2.4656 2.8898 2.2732 3.1488 3.1488 3.9775 2.8636 2.8636 2.2909
H6 2.1367 1.1042 2.2044 2.6129 3.1488 1.7633 2.5432 3.1185 2.5669 3.5004
H7 2.1367 1.1042 2.2044 2.6129 3.1488 1.7633 2.5432 2.5669 3.1185 3.5004
H8 3.5080 2.1837 1.1035 4.5754 3.9775 2.5432 2.5432 1.7909 1.7909 5.3536
H9 2.8242 2.1939 1.1022 4.0921 2.8636 3.1185 2.5669 1.7909 1.7786 4.6443
H10 2.8242 2.1939 1.1022 4.0921 2.8636 2.5669 3.1185 1.7909 1.7786 4.6443
H11 1.8917 3.2306 4.4457 0.9797 2.2909 3.5004 3.5004 5.3536 4.6443 4.6443
Maximum atom distance is 5.3536Å 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 112.638 C2 C1 O4 111.316
C2 C1 O5 126.660 O4 C1 O5 122.023
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 107.245 C1 C2 H7 107.245
C1 O4 H11 105.781 C2 C3 H8 110.083
C2 C3 H9 110.964 C2 C3 H10 110.964
C3 C2 H6 111.683 C3 C2 H7 111.683
H6 C2 H7 105.972 H8 C3 H9 108.579
H8 C3 H10 108.579 H9 C3 H10 107.583

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