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Geometry for NH2COOH (Carbamic acid) 1A C1

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

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


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0436 0.1244 -0.0027   -0.0554 0.1196 -0.0036
O2 -0.4750 1.2457 0.0073   -0.5928 1.1941 -0.0026
N3 1.2709 -0.2236 -0.0572   1.2872 -0.1003 -0.0411
O4 -0.8204 -0.9797 0.0026   -0.7222 -1.0541 -0.0041
H5 1.9262 0.5066 0.1491   1.8664 0.6901 0.1708
H6 1.5260 -1.1634 0.1818   1.6286 -1.0106 0.2041
H7 -1.7238 -0.6525 0.0068   -1.6529 -0.8155 -0.0120
Atom - Atom Distances (Å)
  C1 O2 N3 O4 H5 H6 H7
C1 1.2014 1.3609 1.3500 2.0123 2.0387 1.8511
O2 1.2014 2.2828 2.2520 2.5163 3.1365 2.2722
N3 1.3609 2.2828 2.2246 1.0026 1.0027 3.0260
O4 1.3500 2.2520 2.2246 3.1264 2.3604 0.9608
H5 2.0123 2.5163 1.0026 3.1264 1.7176 3.8322
H6 2.0387 3.1365 1.0027 2.3604 1.7176 3.2944
H7 1.8511 2.2722 3.0260 0.9608 3.8322 3.2944
Maximum atom distance is 3.8322Å 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 125.860 O2 C1 O4 123.827
N3 C1 O4 110.290
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N3 H5 115.897 C1 N3 H6 118.417
C1 O4 H7 105.222 H5 N3 H6 117.861

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