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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/6-31G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0405 0.1240 -0.0020   0.0545 -0.1185 0.0033
O2 -0.4804 1.2590 0.0076   0.6228 -1.1949 0.0064
N3 1.2793 -0.2247 -0.0618   -1.2975 0.0754 0.0419
O4 -0.8248 -0.9909 0.0028   0.7046 1.0796 0.0037
H5 1.9353 0.5107 0.1601   -1.8606 -0.7318 -0.1855
H6 1.5355 -1.1677 0.1959   -1.6570 0.9815 -0.2248
H7 -1.7412 -0.6591 0.0058   1.6532 0.8561 0.0159
Atom - Atom Distances (Å)
  C1 O2 N3 O4 H5 H6 H7
C1 1.2173 1.3664 1.3631 2.0198 2.0473 1.8724
O2 1.2173 2.3027 2.2760 2.5335 3.1604 2.2953
N3 1.3664 2.3027 2.2401 1.0101 1.0106 3.0523
O4 1.3631 2.2760 2.2401 3.1460 2.3747 0.9747
H5 2.0198 2.5335 1.0101 3.1460 1.7257 3.8612
H6 2.0473 3.1604 1.0106 2.3747 1.7257 3.3214
H7 1.8724 2.2953 3.0523 0.9747 3.8612 3.3214
Maximum atom distance is 3.8612Å 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 125.969 O2 C1 O4 123.687
N3 C1 O4 110.314
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N3 H5 115.587 C1 N3 H6 118.153
C1 O4 H7 105.224 H5 N3 H6 117.301

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