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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/3-21G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.5602 0.0000   0.5479 0.1167 0.0000
C2 -0.6163 -0.8264 0.0000   -0.6799 -0.7749 0.0000
C3 0.4803 -1.9107 0.0000   -1.9688 0.0719 0.0000
O4 -1.0014 1.5334 0.0000   1.7083 -0.6602 0.0000
O5 1.2058 0.8386 0.0000   0.5691 1.3540 0.0000
H6 -1.2623 -0.9089 0.8810   -0.6261 -1.4239 0.8810
H7 -1.2623 -0.9089 -0.8810   -0.6261 -1.4239 -0.8810
H8 0.0312 -2.9080 0.0000   -2.8508 -0.5751 0.0000
H9 1.1150 -1.8064 -0.8840   -1.9990 0.7143 -0.8840
H10 1.1150 -1.8064 0.8840   -1.9990 0.7143 0.8840
H11 -0.5552 2.4241 0.0000   2.4866 -0.0382 0.0000
Atom - Atom Distances (Å)
  C1 C2 C3 O4 O5 H6 H7 H8 H9 H10 H11
C1 1.5173 2.5171 1.3964 1.2375 2.1278 2.1278 3.4683 2.7614 2.7614 1.9449
C2 1.5173 1.5422 2.3910 2.4682 1.0955 1.0955 2.1800 2.1770 2.1770 3.2511
C3 2.5171 1.5422 3.7493 2.8433 2.1946 2.1946 1.0938 1.0932 1.0932 4.4568
O4 1.3964 2.3910 3.7493 2.3140 2.6094 2.6094 4.5599 4.0515 4.0515 0.9963
O5 1.2375 2.4682 2.8433 2.3140 3.1497 3.1497 3.9264 2.7903 2.7903 2.3696
H6 2.1278 1.0955 2.1946 2.6094 3.1497 1.7619 2.5388 3.0939 2.5410 3.5192
H7 2.1278 1.0955 2.1946 2.6094 3.1497 1.7619 2.5388 2.5410 3.0939 3.5192
H8 3.4683 2.1800 1.0938 4.5599 3.9264 2.5388 2.5388 1.7803 1.7803 5.3643
H9 2.7614 2.1770 1.0932 4.0515 2.7903 3.0939 2.5410 1.7803 1.7680 4.6334
H10 2.7614 2.1770 1.0932 4.0515 2.7903 2.5410 3.0939 1.7803 1.7680 4.6334
H11 1.9449 3.2511 4.4568 0.9963 2.3696 3.5192 3.5192 5.3643 4.6334 4.6334
Maximum atom distance is 5.3643Å 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 110.708 C2 C1 O4 110.215
C2 C1 O5 126.967 O4 C1 O5 122.818
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 107.958 C1 C2 H7 107.958
C1 O4 H11 107.572 C2 C3 H8 110.430
C2 C3 H9 110.228 C2 C3 H10 110.228
C3 C2 H6 111.490 C3 C2 H7 111.490
H6 C2 H7 107.059 H8 C3 H9 108.985
H8 C3 H10 108.985 H9 C3 H10 107.929

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