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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

B3LYP/6-31G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.1321 0.0000   -0.0398 0.1260 0.0000
O2 -0.1855 1.3582 0.0000   -0.5860 1.2392 0.0000
N3 1.1982 -0.5054 0.0000   1.2948 -0.1211 0.0000
O4 -1.0376 -0.7925 0.0000   -0.7507 -1.0683 0.0000
H5 2.0407 0.0430 0.0000   1.9329 0.6556 0.0000
H6 1.2470 -1.5103 0.0000   1.6440 -1.0645 0.0000
H7 -1.8898 -0.3125 0.0000   -1.7079 -0.8672 0.0000
Atom - Atom Distances (Å)
  C1 O2 N3 O4 H5 H6 H7
C1 1.2400 1.3572 1.3898 2.0426 2.0622 1.9414
O2 1.2400 2.3212 2.3134 2.5857 3.2063 2.3866
N3 1.3572 2.3212 2.2541 1.0053 1.0060 3.0940
O4 1.3898 2.3134 2.2541 3.1896 2.3947 0.9781
H5 2.0426 2.5857 1.0053 3.1896 1.7443 3.9465
H6 2.0622 3.2063 1.0060 2.3947 1.7443 3.3577
H7 1.9414 2.3866 3.0940 0.9781 3.9465 3.3577
Maximum atom distance is 3.9465Å 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 126.624 O2 C1 O4 123.102
N3 C1 O4 110.274
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N3 H5 118.921 C1 N3 H6 120.800
C1 O4 H7 108.902 H5 N3 H6 120.279

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