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Geometry for CH3C(OH)=NH (Ethaninidic acid) 1A' CS

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

MP2/TZVP


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.1312 0.0000   0.1031 -0.0812 0.0000
C2 0.9403 -1.0348 0.0000   -0.2318 1.3788 0.0000
N3 0.2523 1.3788 0.0000   1.2396 -0.6544 0.0000
O4 -1.2921 -0.2856 0.0000   -1.0235 -0.8388 0.0000
H5 1.9732 -0.6962 0.0000   0.6731 1.9812 0.0000
H6 0.7611 -1.6501 0.8807   -0.8261 1.6186 0.8807
H7 0.7611 -1.6501 -0.8807   -0.8261 1.6186 -0.8807
H8 1.2575 1.5256 0.0000   1.9765 0.0448 0.0000
H9 -1.8237 0.5254 0.0000   -0.7149 -1.7581 0.0000
Atom - Atom Distances (Å)
  C1 C2 N3 O4 H5 H6 H7 H8 H9
C1 1.4979 1.2728 1.3577 2.1397 2.1280 2.1280 1.8776 1.8658
C2 1.4979 2.5097 2.3547 1.0870 1.0892 1.0892 2.5799 3.1739
N3 1.2728 2.5097 2.2706 2.6958 3.1952 3.1952 1.0158 2.2446
O4 1.3577 2.3547 2.2706 3.2910 2.6179 2.6179 3.1274 0.9697
H5 2.1397 1.0870 2.6958 3.2910 1.7762 1.7762 2.3342 3.9886
H6 2.1280 1.0892 3.1952 2.6179 1.7762 1.7615 3.3327 3.4914
H7 2.1280 1.0892 3.1952 2.6179 1.7762 1.7615 3.3327 3.4914
H8 1.8776 2.5799 1.0158 3.1274 2.3342 3.3327 3.3327 3.2395
H9 1.8658 3.1739 2.2446 0.9697 3.9886 3.4914 3.4914 3.2395
Maximum atom distance is 3.9886Å between atoms H5 and H9.
picture of Ethaninidic acid
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 N3 129.685 C2 C1 O4 111.001
N3 C1 O4 119.314
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 110.732 C1 C2 H6 109.666
C1 C2 H7 109.666 C1 N3 H8 109.739
C1 O4 H9 105.364 H5 C2 H6 109.405
H5 C2 H7 109.405 H6 C2 H7 107.915

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