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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/3-21G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.1487 0.0000   0.0516 -0.1395 0.0000
O2 -0.2093 1.3729 0.0000   0.6724 -1.2151 0.0000
N3 1.2114 -0.4969 0.0000   -1.3086 0.0460 0.0000
O4 -1.0299 -0.8291 0.0000   0.6785 1.1348 0.0000
H5 2.0671 0.0540 0.0000   -1.9201 -0.7675 0.0000
H6 1.2542 -1.5151 0.0000   -1.7017 0.9861 0.0000
H7 -1.8880 -0.3028 0.0000   1.6658 0.9388 0.0000
Atom - Atom Distances (Å)
  C1 O2 N3 O4 H5 H6 H7
C1 1.2420 1.3727 1.4201 2.0692 2.0835 1.9412
O2 1.2420 2.3483 2.3499 2.6308 3.2376 2.3720
N3 1.3727 2.3483 2.2658 1.0177 1.0190 3.1055
O4 1.4201 2.3499 2.2658 3.2204 2.3848 1.0066
H5 2.0692 2.6308 1.0177 3.2204 1.7671 3.9711
H6 2.0835 3.2376 1.0190 2.3848 1.7671 3.3679
H7 1.9412 2.3720 3.1055 1.0066 3.9711 3.3679
Maximum atom distance is 3.9711Å 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 127.755 O2 C1 O4 123.812
N3 C1 O4 108.432
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N3 H5 119.169 C1 N3 H6 120.459
C1 O4 H7 104.969 H5 N3 H6 120.372

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