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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

BLYP/6-31G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.1373 0.0000   -0.0367 0.1323 0.0000
O2 -0.1994 1.3734 0.0000   -0.5596 1.2700 0.0000
N3 1.2139 -0.4981 0.0000   1.3029 -0.1552 0.0000
O4 -1.0419 -0.8191 0.0000   -0.7847 -1.0680 0.0000
H5 2.0589 0.0607 0.0000   1.9676 0.6093 0.0000
H6 1.2722 -1.5106 0.0000   1.6299 -1.1152 0.0000
H7 -1.8982 -0.3211 0.0000   -1.7431 -0.8172 0.0000
Atom - Atom Distances (Å)
  C1 O2 N3 O4 H5 H6 H7
C1 1.2520 1.3702 1.4143 2.0603 2.0819 1.9528
O2 1.2520 2.3452 2.3488 2.6121 3.2378 2.3994
N3 1.3702 2.3452 2.2785 1.0131 1.0142 3.1171
O4 1.4143 2.3488 2.2785 3.2232 2.4151 0.9906
H5 2.0603 2.6121 1.0131 3.2232 1.7572 3.9755
H6 2.0819 3.2378 1.0142 2.4151 1.7572 3.3862
H7 1.9528 2.3994 3.1171 0.9906 3.9755 3.3862
Maximum atom distance is 3.9755Å 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 126.796 O2 C1 O4 123.389
N3 C1 O4 109.816
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N3 H5 118.892 C1 N3 H6 120.926
C1 O4 H7 107.266 H5 N3 H6 120.182

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