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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

MP2/aug-cc-pVDZ


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0403 0.1267 -0.0006   -0.0777 -0.1079 -0.0007
O2 -0.4783 1.2686 0.0056   -0.8484 -1.0574 0.0055
N3 1.2799 -0.2284 -0.0476   1.2876 -0.1803 -0.0476
O4 -0.8303 -0.9961 0.0021   -0.4800 1.2047 0.0021
H5 1.9528 0.5050 0.1238   1.6996 -1.0863 0.1239
H6 1.5398 -1.1849 0.1477   1.8316 0.6483 0.1478
H7 -1.7417 -0.6613 0.0045   -1.4503 1.1694 0.0045
Atom - Atom Distances (Å)
  C1 O2 N3 O4 H5 H6 H7
C1 1.2230 1.3679 1.3729 2.0325 2.0589 1.8751
O2 1.2230 2.3097 2.2919 2.5509 3.1800 2.3067
N3 1.3679 2.3097 2.2461 1.0100 1.0102 3.0529
O4 1.3729 2.2919 2.2461 3.1645 2.3821 0.9709
H5 2.0325 2.5509 1.0100 3.1645 1.7398 3.8761
H6 2.0589 3.1800 1.0102 2.3821 1.7398 3.3261
H7 1.8751 2.3067 3.0529 0.9709 3.8761 3.3261
Maximum atom distance is 3.8761Å 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 126.026 O2 C1 O4 123.885
N3 C1 O4 110.067
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N3 H5 116.661 C1 N3 H6 119.173
C1 O4 H7 104.960 H5 N3 H6 118.900

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