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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

B97D3/6-311+G(3df,2p)


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.5732 0.0000   0.5623 0.1114 0.0000
C2 -0.5895 -0.8205 0.0000   -0.6903 -0.7378 0.0000
C3 0.4660 -1.9221 0.0000   -1.9760 0.0835 0.0000
O4 -0.9802 1.5249 0.0000   1.6863 -0.6651 0.0000
O5 1.1758 0.8542 0.0000   0.6093 1.3194 0.0000
H6 -1.2513 -0.8961 0.8720   -0.6358 -1.4016 0.8720
H7 -1.2513 -0.8961 -0.8720   -0.6358 -1.4016 -0.8720
H8 -0.0132 -2.9055 0.0000   -2.8475 -0.5777 0.0000
H9 1.1086 -1.8505 -0.8813   -2.0307 0.7278 -0.8813
H10 1.1086 -1.8505 0.8813   -2.0307 0.7278 0.8813
H11 -0.5247 2.3828 0.0000   2.4393 -0.0516 0.0000
Atom - Atom Distances (Å)
  C1 C2 C3 O4 O5 H6 H7 H8 H9 H10 H11
C1 1.5133 2.5385 1.3662 1.2089 2.1178 2.1178 3.4787 2.8072 2.8072 1.8841
C2 1.5133 1.5256 2.3777 2.4333 1.0973 1.0973 2.1631 2.1729 2.1729 3.2039
C3 2.5385 1.5256 3.7380 2.8656 2.1822 2.1822 1.0939 1.0931 1.0931 4.4174
O4 1.3662 2.3777 3.7380 2.2579 2.5875 2.5875 4.5346 4.0661 4.0661 0.9713
O5 1.2089 2.4333 2.8656 2.2579 3.1168 3.1168 3.9431 2.8454 2.8454 2.2866
H6 2.1178 1.0973 2.1822 2.5875 3.1168 1.7439 2.5161 3.0910 2.5456 3.4698
H7 2.1178 1.0973 2.1822 2.5875 3.1168 1.7439 2.5161 2.5456 3.0910 3.4698
H8 3.4787 2.1631 1.0939 4.5346 3.9431 2.5161 2.5161 1.7743 1.7743 5.3129
H9 2.8072 2.1729 1.0931 4.0661 2.8454 3.0910 2.5456 1.7743 1.7626 4.6222
H10 2.8072 2.1729 1.0931 4.0661 2.8454 2.5456 3.0910 1.7743 1.7626 4.6222
H11 1.8841 3.2039 4.4174 0.9713 2.2866 3.4698 3.4698 5.3129 4.6222 4.6222
Maximum atom distance is 5.3129Å 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 113.180 C2 C1 O4 111.386
C2 C1 O5 126.193 O4 C1 O5 122.421
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 107.395 C1 C2 H7 107.395
C1 O4 H11 106.230 C2 C3 H8 110.345
C2 C3 H9 110.968 C2 C3 H10 110.968
C3 C2 H6 111.598 C3 C2 H7 111.598
H6 C2 H7 105.233 H8 C3 H9 108.446
H8 C3 H10 108.446 H9 C3 H10 107.567

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