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Geometry for HOCHNH (hydroxymethylimine) 1A' CS H all up

1910171554
InChI=1S/CH3NO/c2-1-3/h1H,(H2,2,3) INChIKey=ZHNUHDYFZUAESO-UHFFFAOYSA-N

B3PW91/6-311+G(3df,2p)


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.3722 0.0000   0.0921 0.3606 0.0000
O2 -1.0002 -0.5303 0.0000   -1.1004 -0.2663 0.0000
N3 1.1942 -0.0154 0.0000   1.1532 -0.3104 0.0000
H4 -0.3370 1.4154 0.0000   0.0237 1.4547 0.0000
H5 -1.8461 -0.0768 0.0000   -1.8077 0.3824 0.0000
H6 1.8259 0.7786 0.0000   1.9618 0.3026 0.0000
Atom - Atom Distances (Å)
  C1 O2 N3 H4 H5 H6
C1 1.3472 1.2555 1.0963 1.8999 1.8706
O2 1.3472 2.2540 2.0556 0.9597 3.1145
N3 1.2555 2.2540 2.0956 3.0409 1.0147
H4 1.0963 2.0556 2.0956 2.1222 2.2547
H5 1.8999 0.9597 3.0409 2.1222 3.7703
H6 1.8706 3.1145 1.0147 2.2547 3.7703
Maximum atom distance is 3.7703Å between atoms H5 and H6.
picture of hydroxymethylimine
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O2 C1 N3 119.961
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O2 H5 109.748 C1 N3 H6 110.523
O2 C1 H4 114.153 N3 C1 H4 125.887

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