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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

QCISD/cc-pVTZ


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0405 0.1232 -0.0023   0.0550 -0.1174 0.0038
O2 -0.4675 1.2512 0.0071   0.6151 -1.1856 0.0083
N3 1.2726 -0.2313 -0.0576   -1.2920 0.0762 0.0363
O4 -0.8305 -0.9766 0.0024   0.7065 1.0697 0.0042
H5 1.9296 0.4950 0.1514   -1.8530 -0.7251 -0.1783
H6 1.5207 -1.1717 0.1821   -1.6478 0.9786 -0.2134
H7 -1.7316 -0.6401 0.0080   1.6416 0.8444 0.0148
Atom - Atom Distances (Å)
  C1 O2 N3 O4 H5 H6 H7
C1 1.2062 1.3612 1.3541 2.0107 2.0366 1.8554
O2 1.2062 2.2869 2.2571 2.5177 3.1391 2.2748
N3 1.3612 2.2869 2.2321 1.0014 1.0017 3.0326
O4 1.3541 2.2571 2.2321 3.1314 2.3661 0.9619
H5 2.0107 2.5177 1.0014 3.1314 1.7164 3.8358
H6 2.0366 3.1391 1.0017 2.3661 1.7164 3.3000
H7 1.8554 2.2748 3.0326 0.9619 3.8358 3.3000
Maximum atom distance is 3.8358Å 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 125.830 O2 C1 O4 123.567
N3 C1 O4 110.577
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N3 H5 115.818 C1 N3 H6 118.270
C1 O4 H7 105.217 H5 N3 H6 117.935

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