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Geometry for CH3CONH2 (Acetamide) 1A' C1

1910171554
InChI=1S/C2H5NO/c1-2(3)4/h1H3,(H2,3,4) INChIKey=DLFVBJFMPXGRIB-UHFFFAOYSA-N

HSEh1PBE/3-21G


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.3747 -0.2865 0.0001   -1.3955 -0.1565 -0.0017
C2 -0.0851 0.1463 -0.0151   0.0984 0.1377 -0.0152
N3 -0.9778 -0.8843 -0.0077   0.8907 -0.9720 -0.0044
O4 -0.4352 1.3312 0.0049   0.5579 1.2846 0.0032
H5 1.7906 -0.1008 0.9975   -1.7937 0.0693 0.9946
H6 1.5252 -1.3389 -0.2554   -1.6434 -1.1908 -0.2555
H7 1.9259 0.3405 -0.7047   -1.8844 0.5178 -0.7086
H8 -1.9672 -0.6696 0.0297   1.8958 -0.8507 0.0344
H9 -0.6861 -1.8497 0.0371   0.5099 -1.9057 0.0417
Atom - Atom Distances (Å)
  C1 C2 N3 O4 H5 H6 H7 H8 H9
C1 1.5226 2.4273 2.4275 1.0964 1.0934 1.0925 3.3639 2.5869
C2 1.5226 1.3636 1.2357 2.1458 2.2038 2.1347 2.0519 2.0852
N3 2.4273 1.3636 2.2810 3.0476 2.5559 3.2275 1.0132 1.0095
O4 2.4275 1.2357 2.2810 2.8266 3.3227 2.6570 2.5201 3.1910
H5 1.0964 2.1458 3.0476 2.8266 1.7813 1.7636 3.9219 3.1805
H6 1.0934 2.2038 2.5559 3.3227 1.7813 1.7840 3.5674 2.2883
H7 1.0925 2.1347 3.2275 2.6570 1.7636 1.7840 4.0885 3.4885
H8 3.3639 2.0519 1.0132 2.5201 3.9219 3.5674 4.0885 1.7418
H9 2.5869 2.0852 1.0095 3.1910 3.1805 2.2883 3.4885 1.7418
Maximum atom distance is 4.0885Å between atoms H7 and H8.
picture of Acetamide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 N3 114.378 C1 C2 O4 122.960
N3 C2 O4 122.628
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 H5 108.942 C2 C1 H6 113.778
C2 C1 H7 108.306 C2 N3 H8 118.643
C2 N3 H9 122.275 H5 C1 H6 108.867
H5 C1 H7 107.355 H6 C1 H7 109.399
H8 N3 H9 118.893

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