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Geometry for NH2COOH (Carbamic acid) 1A' CS

1910171554
InChI=1S/CH3NO2/c2-1(3)4/h2H2,(H,3,4) INChIKey=KXDHJXZQYSOELW-UHFFFAOYSA-N

CID/3-21G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.1412 0.0000   -0.0574 0.1290 0.0000
O2 -0.1993 1.3484 0.0000   -0.7304 1.1508 0.0000
N3 1.1962 -0.4982 0.0000   1.2954 0.0313 0.0000
O4 -1.0223 -0.7965 0.0000   -0.6100 -1.1434 0.0000
H5 2.0423 0.0420 0.0000   1.8488 0.8688 0.0000
H6 1.2337 -1.5015 0.0000   1.7376 -0.8701 0.0000
H7 -1.8770 -0.3148 0.0000   -1.5868 -1.0508 0.0000
Atom - Atom Distances (Å)
  C1 O2 N3 O4 H5 H6 H7
C1 1.2235 1.3563 1.3872 2.0447 2.0544 1.9315
O2 1.2235 2.3146 2.2974 2.5945 3.1899 2.3623
N3 1.3563 2.3146 2.2384 1.0038 1.0040 3.0786
O4 1.3872 2.2974 2.2384 3.1772 2.3635 0.9811
H5 2.0447 2.5945 1.0038 3.1772 1.7425 3.9355
H6 2.0544 3.1899 1.0040 2.3635 1.7425 3.3293
H7 1.9315 2.3623 3.0786 0.9811 3.9355 3.3293
Maximum atom distance is 3.9355Å between atoms H5 and H7.
picture of Carbamic acid
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O2 C1 N3 127.499 O2 C1 O4 123.156
N3 C1 O4 109.345
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N3 H5 119.321 C1 N3 H6 120.263
C1 O4 H7 108.061 H5 N3 H6 120.416

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