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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

CID/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.5691 0.0000   0.5579 -0.1121 0.0000
C2 -0.6015 -0.8082 0.0000   -0.9108 -0.4306 0.0000
C3 0.4474 -1.9065 0.0000   -1.7811 0.8142 0.0000
O4 -0.9485 1.5223 0.0000   1.3056 -1.2298 0.0000
O5 1.1721 0.8289 0.0000   1.0435 0.9859 0.0000
H6 -1.2560 -0.8778 0.8692   -1.1080 -1.0585 0.8692
H7 -1.2560 -0.8778 -0.8692   -1.1080 -1.0585 -0.8692
H8 -0.0309 -2.8838 0.0000   -2.8334 0.5377 0.0000
H9 1.0850 -1.8347 -0.8773   -1.5851 1.4251 -0.8773
H10 1.0850 -1.8347 0.8773   -1.5851 1.4251 0.8773
H11 -0.4908 2.3727 0.0000   2.2295 -0.9484 0.0000
Atom - Atom Distances (Å)
  C1 C2 C3 O4 O5 H6 H7 H8 H9 H10 H11
C1 1.5029 2.5157 1.3447 1.2005 2.1039 2.1039 3.4530 2.7794 2.7794 1.8691
C2 1.5029 1.5188 2.3561 2.4137 1.0903 1.0903 2.1526 2.1605 2.1605 3.1828
C3 2.5157 1.5188 3.7021 2.8298 2.1715 2.1715 1.0880 1.0869 1.0869 4.3808
O4 1.3447 2.3561 3.7021 2.2311 2.5710 2.5710 4.5006 4.0217 4.0217 0.9658
O5 1.2005 2.4137 2.8298 2.2311 3.0926 3.0926 3.9027 2.8058 2.8058 2.2689
H6 2.1039 1.0903 2.1715 2.5710 3.0926 1.7384 2.5061 3.0735 2.5291 3.4506
H7 2.1039 1.0903 2.1715 2.5710 3.0926 1.7384 2.5061 2.5291 3.0735 3.4506
H8 3.4530 2.1526 1.0880 4.5006 3.9027 2.5061 2.5061 1.7651 1.7651 5.2765
H9 2.7794 2.1605 1.0869 4.0217 2.8058 3.0735 2.5291 1.7651 1.7547 4.5776
H10 2.7794 2.1605 1.0869 4.0217 2.8058 2.5291 3.0735 1.7651 1.7547 4.5776
H11 1.8691 3.1828 4.3808 0.9658 2.2689 3.4506 3.4506 5.2765 4.5776 4.5776
Maximum atom distance is 5.2765Å 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 112.724 C2 C1 O4 111.546
C2 C1 O5 126.094 O4 C1 O5 122.360
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 107.385 C1 C2 H7 107.385
C1 O4 H11 106.847 C2 C3 H8 110.239
C2 C3 H9 110.937 C2 C3 H10 110.937
C3 C2 H6 111.619 C3 C2 H7 111.619
H6 C2 H7 105.731 H8 C3 H9 108.495
H8 C3 H10 108.495 H9 C3 H10 107.645

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