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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

B2PLYP/cc-pVTZ


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.3686 -0.2959 -0.0001   1.3195 -0.4686 0.0074
C2 0.0803 0.1553 0.0014   -0.0598 0.1643 0.0003
N3 0.9901 -0.8667 -0.0305   -1.0927 -0.7331 -0.0308
O4 0.4117 1.3230 0.0040   -0.2391 1.3648 -0.0041
H5 -2.0054 0.5789 -0.0594   2.0631 0.3173 -0.0532
H6 -1.5701 -0.9515 -0.8468   1.4387 -1.1490 -0.8352
H7 -1.5976 -0.8478 0.9113   1.4725 -1.0404 0.9224
H8 1.9618 -0.6313 0.0666   -2.0266 -0.3748 0.0608
H9 0.7164 -1.8217 0.1021   -0.9440 -1.7145 0.1076
Atom - Atom Distances (Å)
  C1 C2 N3 O4 H5 H6 H7 H8 H9
C1 1.5175 2.4270 2.4064 1.0836 1.0896 1.0898 3.3478 2.5856
C2 1.5175 1.3686 1.2139 2.1291 2.1606 2.1563 2.0403 2.0792
N3 2.4270 1.3686 2.2651 3.3261 2.6886 2.7538 1.0044 1.0023
O4 2.4064 1.2139 2.2651 2.5298 3.1345 3.0940 2.4952 3.1610
H5 1.0836 2.1291 3.3261 2.5298 1.7752 1.7731 4.1495 3.6327
H6 1.0896 2.1606 2.6886 3.1345 1.7752 1.7613 3.6621 2.6241
H7 1.0898 2.1563 2.7538 3.0940 1.7731 1.7613 3.6646 2.6377
H8 3.3478 2.0403 1.0044 2.4952 4.1495 3.6621 3.6646 1.7231
H9 2.5856 2.0792 1.0023 3.1610 3.6327 2.6241 2.6377 1.7231
Maximum atom distance is 4.1495Å 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 114.371 C1 C2 O4 123.141
N3 C2 O4 122.472
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 H5 108.727 C2 C1 H6 110.871
C2 C1 H7 110.512 C2 N3 H8 117.765
C2 N3 H9 121.793 H5 C1 H6 109.541
H5 C1 H7 109.336 H6 C1 H7 107.834
H8 N3 H9 118.337

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