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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

MP2/3-21G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.5603 0.0000   0.5501 -0.1066 0.0000
C2 -0.6162 -0.8266 0.0000   -0.9287 -0.4477 0.0000
C3 0.4808 -1.9110 0.0000   -1.7846 0.8356 0.0000
O4 -1.0020 1.5333 0.0000   1.3147 -1.2754 0.0000
O5 1.2058 0.8391 0.0000   1.0532 1.0241 0.0000
H6 -1.2622 -0.9092 0.8811   -1.1327 -1.0662 0.8811
H7 -1.2622 -0.9092 -0.8811   -1.1327 -1.0662 -0.8811
H8 0.0315 -2.9084 0.0000   -2.8493 0.5844 0.0000
H9 1.1154 -1.8066 -0.8842   -1.5614 1.4388 -0.8842
H10 1.1154 -1.8066 0.8842   -1.5614 1.4388 0.8842
H11 -0.5558 2.4242 0.0000   2.2742 -1.0070 0.0000
Atom - Atom Distances (Å)
  C1 C2 C3 O4 O5 H6 H7 H8 H9 H10 H11
C1 1.5177 2.5176 1.3967 1.2376 2.1281 2.1281 3.4689 2.7620 2.7620 1.9450
C2 1.5177 1.5425 2.3913 2.4686 1.0956 1.0956 2.1803 2.1774 2.1774 3.2514
C3 2.5176 1.5425 3.7499 2.8440 2.1950 2.1950 1.0939 1.0933 1.0933 4.4574
O4 1.3967 2.3913 3.7499 2.3143 2.6096 2.6096 4.5604 4.0522 4.0522 0.9964
O5 1.2376 2.4686 2.8440 2.3143 3.1502 3.1502 3.9272 2.7910 2.7910 2.3698
H6 2.1281 1.0956 2.1950 2.6096 3.1502 1.7622 2.5391 3.0943 2.5414 3.5195
H7 2.1281 1.0956 2.1950 2.6096 3.1502 1.7622 2.5391 2.5414 3.0943 3.5195
H8 3.4689 2.1803 1.0939 4.5604 3.9272 2.5391 2.5391 1.7806 1.7806 5.3649
H9 2.7620 2.1774 1.0933 4.0522 2.7910 3.0943 2.5414 1.7806 1.7683 4.6341
H10 2.7620 2.1774 1.0933 4.0522 2.7910 2.5414 3.0943 1.7806 1.7683 4.6341
H11 1.9450 3.2514 4.4574 0.9964 2.3698 3.5195 3.5195 5.3649 4.6341 4.6341
Maximum atom distance is 5.3649Å 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 110.711 C2 C1 O4 110.204
C2 C1 O5 126.974 O4 C1 O5 122.822
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 107.956 C1 C2 H7 107.956
C1 O4 H11 107.562 C2 C3 H8 110.420
C2 C3 H9 110.226 C2 C3 H10 110.226
C3 C2 H6 111.489 C3 C2 H7 111.489
H6 C2 H7 107.062 H8 C3 H9 108.990
H8 C3 H10 108.990 H9 C3 H10 107.935

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