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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

TPSSh/6-31G(2df,p)


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.3774 -0.2862 -0.0002   1.3344 -0.4456 0.0069
C2 0.0830 0.1570 0.0024   -0.0640 0.1656 0.0013
N3 0.9849 -0.8771 -0.0308   -1.0808 -0.7558 -0.0309
O4 0.4273 1.3231 0.0038   -0.2693 1.3640 -0.0040
H5 -2.0079 0.5997 -0.0605   2.0646 0.3600 -0.0548
H6 -1.5892 -0.9438 -0.8504   1.4708 -1.1277 -0.8394
H7 -1.6177 -0.8392 0.9146   1.5049 -1.0184 0.9252
H8 1.9625 -0.6507 0.0666   -2.0254 -0.4159 0.0613
H9 0.7061 -1.8352 0.1018   -0.9166 -1.7393 0.1071
Atom - Atom Distances (Å)
  C1 C2 N3 O4 H5 H6 H7 H8 H9
C1 1.5262 2.4353 2.4180 1.0890 1.0955 1.0956 3.3604 2.5982
C2 1.5262 1.3725 1.2158 2.1382 2.1761 2.1718 2.0467 2.0897
N3 2.4353 1.3725 2.2700 3.3375 2.7023 2.7692 1.0081 1.0066
O4 2.4180 1.2158 2.2700 2.5412 3.1519 3.1124 2.5013 3.1720
H5 1.0890 2.1382 3.3375 2.5412 1.7837 1.7814 4.1645 3.6497
H6 1.0955 2.1761 2.7023 3.1519 1.7837 1.7683 3.6799 2.6400
H7 1.0956 2.1718 2.7692 3.1124 1.7814 1.7683 3.6840 2.6556
H8 3.3604 2.0467 1.0081 2.5013 4.1645 3.6799 3.6840 1.7271
H9 2.5982 2.0897 1.0066 3.1720 3.6497 2.6400 2.6556 1.7271
Maximum atom distance is 4.1645Å 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 114.202 C1 C2 O4 123.332
N3 C2 O4 122.447
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 H5 108.534 C2 C1 H6 111.142
C2 C1 H7 110.792 C2 N3 H8 117.750
C2 N3 H9 122.131 H5 C1 H6 109.474
H5 C1 H7 109.257 H6 C1 H7 107.619
H8 N3 H9 118.014

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