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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

MP2=FULL/6-311G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.5686 0.0000   0.5587 -0.1060 0.0000
C2 -0.6029 -0.8115 0.0000   -0.9097 -0.4411 0.0000
C3 0.4538 -1.9052 0.0000   -1.7872 0.8010 0.0000
O4 -0.9619 1.5218 0.0000   1.3159 -1.2287 0.0000
O5 1.1799 0.8318 0.0000   1.0371 1.0042 0.0000
H6 -1.2597 -0.8843 0.8723   -1.1036 -1.0728 0.8723
H7 -1.2597 -0.8843 -0.8723   -1.1036 -1.0728 -0.8723
H8 -0.0150 -2.8910 0.0000   -2.8431 0.5242 0.0000
H9 1.0941 -1.8270 -0.8792   -1.5910 1.4155 -0.8792
H10 1.0941 -1.8270 0.8792   -1.5910 1.4155 0.8792
H11 -0.5034 2.3733 0.0000   2.2379 -0.9369 0.0000
Atom - Atom Distances (Å)
  C1 C2 C3 O4 O5 H6 H7 H8 H9 H10 H11
C1 1.5061 2.5151 1.3542 1.2089 2.1116 2.1116 3.4596 2.7766 2.7766 1.8735
C2 1.5061 1.5208 2.3608 2.4247 1.0943 1.0943 2.1610 2.1643 2.1643 3.1864
C3 2.5151 1.5208 3.7079 2.8317 2.1770 2.1770 1.0915 1.0905 1.0905 4.3843
O4 1.3542 2.3608 3.7079 2.2502 2.5766 2.5766 4.5132 4.0268 4.0268 0.9671
O5 1.2089 2.4247 2.8317 2.2502 3.1076 3.1076 3.9098 2.8017 2.8017 2.2824
H6 2.1116 1.0943 2.1770 2.5766 3.1076 1.7447 2.5173 3.0817 2.5356 3.4561
H7 2.1116 1.0943 2.1770 2.5766 3.1076 1.7447 2.5173 2.5356 3.0817 3.4561
H8 3.4596 2.1610 1.0915 4.5132 3.9098 2.5173 2.5173 1.7706 1.7706 5.2868
H9 2.7766 2.1643 1.0905 4.0268 2.8017 3.0817 2.5356 1.7706 1.7585 4.5790
H10 2.7766 2.1643 1.0905 4.0268 2.8017 2.5356 3.0817 1.7706 1.7585 4.5790
H11 1.8735 3.1864 4.3843 0.9671 2.2824 3.4561 3.4561 5.2868 4.5790 4.5790
Maximum atom distance is 5.2868Å 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 112.384 C2 C1 O4 111.141
C2 C1 O5 126.171 O4 C1 O5 122.688
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 107.527 C1 C2 H7 107.527
C1 O4 H11 106.438 C2 C3 H8 110.548
C2 C3 H9 110.882 C2 C3 H10 110.882
C3 C2 H6 111.666 C3 C2 H7 111.666
H6 C2 H7 105.718 H8 C3 H9 108.478
H8 C3 H10 108.478 H9 C3 H10 107.468

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