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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

B97D3/6-311+G(3df,2p)


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.3672 -0.3337 -0.0008   -1.3884 -0.2303 -0.0013
C2 0.0764 0.1485 -0.0062   0.0873 0.1423 -0.0063
N3 1.0258 -0.8394 -0.0055   0.9600 -0.9139 -0.0041
O4 0.3725 1.3332 0.0008   0.4713 1.3015 -0.0003
H5 -1.9388 0.2635 -0.7140   -1.9132 0.4074 -0.7154
H6 -1.4755 -1.3947 -0.2437   -1.5758 -1.2804 -0.2433
H7 -1.7891 -0.1571 0.9937   -1.7964 -0.0216 0.9928
H8 1.9982 -0.5726 0.0305   1.9497 -0.7207 0.0322
H9 0.7893 -1.8176 0.0081   0.6509 -1.8717 0.0103
Atom - Atom Distances (Å)
  C1 C2 N3 O4 H5 H6 H7 H8 H9
C1 1.5220 2.4459 2.4094 1.0918 1.0938 1.0947 3.3740 2.6178
C2 1.5220 1.3701 1.2212 2.1390 2.2014 2.1386 2.0529 2.0914
N3 2.4459 1.3701 2.2687 3.2415 2.5733 3.0640 1.0090 1.0065
O4 2.4094 1.2212 2.2687 2.6452 3.3040 2.8070 2.5052 3.1783
H5 1.0918 2.1390 3.2415 2.6452 1.7848 1.7651 4.0931 3.5065
H6 1.0938 2.2014 2.5733 3.3040 1.7848 1.7780 3.5802 2.3178
H7 1.0947 2.1386 3.0640 2.8070 1.7651 1.7780 3.9299 3.2214
H8 3.3740 2.0529 1.0090 2.5052 4.0931 3.5802 3.9299 1.7355
H9 2.6178 2.0914 1.0065 3.1783 3.5065 2.3178 3.2214 1.7355
Maximum atom distance is 4.0931Å between atoms H5 and H8.
picture of Acetamide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 N3 114.427 C1 C2 O4 123.212
N3 C2 O4 122.346
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 H5 108.925 C2 C1 H6 111.034
C2 C1 H7 110.648 C2 N3 H8 118.040
C2 N3 H9 121.966 H5 C1 H6 109.371
H5 C1 H7 109.196 H6 C1 H7 107.636
H8 N3 H9 118.093

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