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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

B2PLYP/6-31G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.5621 0.0000   0.5502 -0.1155 0.0000
C2 -0.6022 -0.8207 0.0000   -0.9269 -0.4208 0.0000
C3 0.4578 -1.9277 0.0000   -1.7926 0.8440 0.0000
O4 -0.9843 1.5409 0.0000   1.3059 -1.2798 0.0000
O5 1.2067 0.8466 0.0000   1.0764 1.0071 0.0000
H6 -1.2596 -0.8972 0.8747   -1.1368 -1.0485 0.8747
H7 -1.2596 -0.8972 -0.8747   -1.1368 -1.0485 -0.8747
H8 -0.0212 -2.9113 0.0000   -2.8536 0.5772 0.0000
H9 1.1002 -1.8544 -0.8818   -1.5889 1.4576 -0.8818
H10 1.1002 -1.8544 0.8818   -1.5889 1.4576 0.8818
H11 -0.5735 2.4322 0.0000   2.2626 -1.0608 0.0000
Atom - Atom Distances (Å)
  C1 C2 C3 O4 O5 H6 H7 H8 H9 H10 H11
C1 1.5083 2.5316 1.3881 1.2398 2.1170 2.1170 3.4735 2.7978 2.7978 1.9560
C2 1.5083 1.5326 2.3924 2.4601 1.0969 1.0969 2.1698 2.1781 2.1781 3.2531
C3 2.5316 1.5326 3.7564 2.8736 2.1856 2.1856 1.0941 1.0935 1.0935 4.4802
O4 1.3881 2.3924 3.7564 2.2983 2.6049 2.6049 4.5552 4.0806 4.0806 0.9814
O5 1.2398 2.4601 2.8736 2.2983 3.1447 3.1447 3.9534 2.8433 2.8433 2.3839
H6 2.1170 1.0969 2.1856 2.6049 3.1447 1.7495 2.5210 3.0937 2.5466 3.5102
H7 2.1170 1.0969 2.1856 2.6049 3.1447 1.7495 2.5210 2.5466 3.0937 3.5102
H8 3.4735 2.1698 1.0941 4.5552 3.9534 2.5210 2.5210 1.7754 1.7754 5.3720
H9 2.7978 2.1781 1.0935 4.0806 2.8433 3.0937 2.5466 1.7754 1.7636 4.6855
H10 2.7978 2.1781 1.0935 4.0806 2.8433 2.5466 3.0937 1.7754 1.7636 4.6855
H11 1.9560 3.2531 4.4802 0.9814 2.3839 3.5102 3.5102 5.3720 4.6855 4.6855
Maximum atom distance is 5.3720Å 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 112.711 C2 C1 O4 111.310
C2 C1 O5 126.795 O4 C1 O5 121.895
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 107.651 C1 C2 H7 107.651
C1 O4 H11 110.096 C2 C3 H8 110.275
C2 C3 H9 110.973 C2 C3 H10 110.973
C3 C2 H6 111.357 C3 C2 H7 111.357
H6 C2 H7 105.769 H8 C3 H9 108.510
H8 C3 H10 108.510 H9 C3 H10 107.501

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