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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

PBEPBE/6-31G(2df,p)


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.5733 0.0000   0.5629 0.1091 0.0000
C2 -0.6027 -0.8177 0.0000   -0.6881 -0.7472 0.0000
C3 0.4560 -1.9184 0.0000   -1.9701 0.0827 0.0000
O4 -0.9716 1.5321 0.0000   1.6889 -0.6624 0.0000
O5 1.1860 0.8395 0.0000   0.5985 1.3240 0.0000
H6 -1.2711 -0.8920 0.8764   -0.6339 -1.4175 0.8764
H7 -1.2711 -0.8920 -0.8764   -0.6339 -1.4175 -0.8764
H8 -0.0175 -2.9120 0.0000   -2.8555 -0.5711 0.0000
H9 1.1041 -1.8404 -0.8858   -2.0168 0.7338 -0.8858
H10 1.1041 -1.8404 0.8858   -2.0168 0.7338 0.8858
H11 -0.4837 2.3805 0.0000   2.4290 -0.0220 0.0000
Atom - Atom Distances (Å)
  C1 C2 C3 O4 O5 H6 H7 H8 H9 H10 H11
C1 1.5160 2.5331 1.3650 1.2155 2.1286 2.1286 3.4854 2.7982 2.7982 1.8708
C2 1.5160 1.5272 2.3786 2.4383 1.1047 1.1047 2.1746 2.1780 2.1780 3.2004
C3 2.5331 1.5272 3.7341 2.8528 2.1919 2.1919 1.1007 1.1004 1.1004 4.4004
O4 1.3650 2.3786 3.7341 2.2660 2.5950 2.5950 4.5454 4.0579 4.0579 0.9787
O5 1.2155 2.4383 2.8528 2.2660 3.1310 3.1310 3.9398 2.8237 2.8237 2.2722
H6 2.1286 1.1047 2.1919 2.5950 3.1310 1.7528 2.5338 3.1059 2.5575 3.4781
H7 2.1286 1.1047 2.1919 2.5950 3.1310 1.7528 2.5338 2.5575 3.1059 3.4781
H8 3.4854 2.1746 1.1007 4.5454 3.9398 2.5338 2.5338 1.7863 1.7863 5.3130
H9 2.7982 2.1780 1.1004 4.0579 2.8237 3.1059 2.5575 1.7863 1.7717 4.5958
H10 2.7982 2.1780 1.1004 4.0579 2.8237 2.5575 3.1059 1.7863 1.7717 4.5958
H11 1.8708 3.2004 4.4004 0.9787 2.2722 3.4781 3.4781 5.3130 4.5958 4.5958
Maximum atom distance is 5.3130Å 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 112.689 C2 C1 O4 111.194
C2 C1 O5 126.071 O4 C1 O5 122.735
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 107.592 C1 C2 H7 107.592
C1 O4 H11 104.717 C2 C3 H8 110.638
C2 C3 H9 110.930 C2 C3 H10 110.930
C3 C2 H6 111.775 C3 C2 H7 111.775
H6 C2 H7 104.999 H8 C3 H9 108.499
H8 C3 H10 108.499 H9 C3 H10 107.229

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