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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

CCSD(T)=FULL/TZVP


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0398 0.1261 -0.0007   -0.0502 0.1223 -0.0018
O2 -0.4623 1.2599 0.0079   -0.5660 1.2169 -0.0039
N3 1.2779 -0.2395 -0.0713   1.2943 -0.1319 -0.0511
O4 -0.8375 -0.9784 0.0043   -0.7528 -1.0450 -0.0045
H5 1.9277 0.4843 0.1884   1.8774 0.6443 0.2155
H6 1.5077 -1.1764 0.2185   1.5972 -1.0456 0.2458
H7 -1.7431 -0.6404 -0.0017   -1.6833 -0.7839 -0.0255
Atom - Atom Distances (Å)
  C1 O2 N3 O4 H5 H6 H7
C1 1.2100 1.3693 1.3625 2.0088 2.0345 1.8678
O2 1.2100 2.2984 2.2696 2.5192 3.1402 2.2917
N3 1.3693 2.2984 2.2420 1.0068 1.0073 3.0483
O4 1.3625 2.2696 2.2420 3.1337 2.3632 0.9667
H5 2.0088 2.5192 1.0068 3.1337 1.7132 3.8440
H6 2.0345 3.1402 1.0073 2.3632 1.7132 3.3020
H7 1.8678 2.2917 3.0483 0.9667 3.8440 3.3020
Maximum atom distance is 3.8440Å 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 125.912 O2 C1 O4 123.724
N3 C1 O4 110.314
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N3 H5 114.581 C1 N3 H6 116.941
C1 O4 H7 105.367 H5 N3 H6 116.564

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