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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

TPSSh/cc-pVTZ


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0379 0.1260 -0.0009   0.0518 -0.1210 0.0020
O2 -0.4609 1.2612 0.0052   0.5996 -1.2014 0.0074
N3 1.2710 -0.2385 -0.0448   -1.2902 0.0944 0.0268
O4 -0.8396 -0.9788 0.0023   0.7243 1.0669 0.0038
H5 1.9504 0.4831 0.1183   -1.8820 -0.6996 -0.1416
H6 1.5289 -1.1930 0.1370   -1.6511 1.0132 -0.1634
H7 -1.7444 -0.6354 0.0040   1.6619 0.8274 0.0157
Atom - Atom Distances (Å)
  C1 O2 N3 O4 H5 H6 H7
C1 1.2114 1.3595 1.3650 2.0236 2.0527 1.8686
O2 1.2114 2.2915 2.2718 2.5362 3.1622 2.2901
N3 1.3595 2.2915 2.2372 1.0045 1.0053 3.0418
O4 1.3650 2.2718 2.2372 3.1519 2.3819 0.9677
H5 2.0236 2.5362 1.0045 3.1519 1.7284 3.8620
H6 2.0527 3.1622 1.0053 2.3819 1.7284 3.3230
H7 1.8686 2.2901 3.0418 0.9677 3.8620 3.3230
Maximum atom distance is 3.8620Å 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 125.988 O2 C1 O4 123.598
N3 C1 O4 110.395
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N3 H5 116.956 C1 N3 H6 119.718
C1 O4 H7 105.181 H5 N3 H6 118.638

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