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Geometry for CH2CHCONH2 (Acrylamide) 1A CS

1910171554
InChI=1S/C3H5NO/c1-2-3(4)5/h2H,1H2,(H2,4,5) INChIKey=HRPVXLWXLXDGHG-UHFFFAOYSA-N

G2
This model chemistry uses a geometry from MP2=FULL/6-31G*


Point group is C1
Atom Internal
x (Å) y (Å) z (Å)
C1 0.7952 -0.6580 -0.0225
C2 -0.4736 0.1258 -0.0055
N3 -1.6121 -0.6378 -0.0306
O4 -0.5074 1.3551 -0.0057
C5 1.9724 -0.0268 0.0192
H6 0.7400 -1.7434 -0.0718
H7 -2.4866 -0.1497 0.1128
H8 -1.5867 -1.6201 0.2010
H9 2.0002 1.0569 0.0621
H10 2.9131 -0.5659 0.0082
Atom - Atom Distances (Å)
  C1 C2 N3 O4 C5 H6 H7 H8 H9 H10
C1 1.4915 2.4073 2.3978 1.3364 1.0879 3.3236 2.5785 2.0977 2.1201
C2 1.4915 1.3710 1.2297 2.4509 2.2297 2.0351 2.0808 2.6441 3.4567
N3 2.4073 1.3710 2.2786 3.6365 2.5993 1.0117 1.0096 3.9911 4.5259
O4 2.3978 1.2297 2.2786 2.8390 3.3408 2.4891 3.1716 2.5262 3.9231
C5 1.3364 2.4509 3.6365 2.8390 2.1152 4.4617 3.9037 1.0849 1.0843
H6 1.0879 2.2297 2.5993 3.3408 2.1152 3.6034 2.3459 3.0738 2.4729
H7 3.3236 2.0351 1.0117 2.4891 4.4617 3.6034 1.7261 4.6465 5.4167
H8 2.5785 2.0808 1.0096 3.1716 3.9037 2.3459 1.7261 4.4779 4.6256
H9 2.0977 2.6441 3.9911 2.5262 1.0849 3.0738 4.6465 4.4779 1.8628
H10 2.1201 3.4567 4.5259 3.9231 1.0843 2.4729 5.4167 4.6256 1.8628
Maximum atom distance is 5.4167Å between atoms H7 and H10.
picture of Acrylamide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle

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