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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

PBEPBEultrafine/cc-pVDZ


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0411 0.1252 -0.0019   -0.0535 0.1204 -0.0029
O2 -0.4825 1.2660 0.0076   -0.6076 1.2110 -0.0035
N3 1.2865 -0.2255 -0.0657   1.3034 -0.0949 -0.0472
O4 -0.8307 -1.0003 0.0032   -0.7257 -1.0789 -0.0046
H5 1.9431 0.5161 0.1739   1.8787 0.7096 0.1987
H6 1.5470 -1.1745 0.2037   1.6544 -1.0123 0.2291
H7 -1.7432 -0.6398 0.0064   -1.6699 -0.8121 -0.0153
Atom - Atom Distances (Å)
  C1 O2 N3 O4 H5 H6 H7
C1 1.2233 1.3746 1.3748 2.0301 2.0625 1.8661
O2 1.2233 2.3150 2.2929 2.5443 3.1802 2.2851
N3 1.3746 2.3150 2.2555 1.0191 1.0203 3.0587
O4 1.3748 2.2929 2.2555 3.1659 2.3925 0.9812
H5 2.0301 2.5443 1.0191 3.1659 1.7367 3.8670
H6 2.0625 3.1802 1.0203 2.3925 1.7367 3.3392
H7 1.8661 2.2851 3.0587 0.9812 3.8670 3.3392
Maximum atom distance is 3.8670Å 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 125.926 O2 C1 O4 123.797
N3 C1 O4 110.240
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N3 H5 115.197 C1 N3 H6 118.141
C1 O4 H7 103.494 H5 N3 H6 116.762

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