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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

PBEPBE/6-31+G**


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.3696 -0.3428 -0.0000   1.3277 -0.4802 0.0010
C2 0.0739 0.1434 -0.0002   -0.0589 0.1501 -0.0004
N3 1.0365 -0.8379 -0.0001   -1.1163 -0.7283 -0.0002
O4 0.3655 1.3435 0.0000   -0.2271 1.3737 -0.0010
H5 -1.8798 0.0735 -0.8824   1.8780 -0.1185 -0.8814
H6 -1.4763 -1.4390 -0.0073   1.3224 -1.5816 -0.0055
H7 -1.8753 0.0609 0.8909   1.8713 -0.1294 0.8920
H8 2.0129 -0.5536 0.0010   -2.0588 -0.3462 0.0001
H9 0.8136 -1.8278 0.0000   -0.9952 -1.7356 0.0007
Atom - Atom Distances (Å)
  C1 C2 N3 O4 H5 H6 H7 H8 H9
C1 1.5232 2.4565 2.4196 1.1010 1.1014 1.1011 3.3891 2.6404
C2 1.5232 1.3746 1.2351 2.1448 2.2152 2.1448 2.0605 2.1054
N3 2.4565 1.3746 2.2823 3.1803 2.5837 3.1750 1.0170 1.0146
O4 2.4196 1.2351 2.2823 2.7264 3.3368 2.7313 2.5126 3.2028
H5 1.1010 2.1448 3.1803 2.7264 1.7934 1.7734 4.0407 3.4129
H6 1.1014 2.2152 2.5837 3.3368 1.7934 1.7932 3.5998 2.3227
H7 1.1011 2.1448 3.1750 2.7313 1.7734 1.7932 4.0358 3.4046
H8 3.3891 2.0605 1.0170 2.5126 4.0407 3.5998 4.0358 1.7498
H9 2.6404 2.1054 1.0146 3.2028 3.4129 2.3227 3.4046 1.7498
Maximum atom distance is 4.0407Å 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 115.834 C1 C2 O4 122.272
N3 C2 O4 121.894
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 H5 108.563 C2 C1 H6 114.174
C2 C1 H7 108.560 C2 N3 H8 118.216
C2 N3 H9 122.862 H5 C1 H6 109.035
H5 C1 H7 107.278 H6 C1 H7 109.012
H8 N3 H9 118.922

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