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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

MP2=FULL/STO-3G


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0626 0.1387 -0.0014   -0.0908 0.1220 -0.0037
O2 -0.5949 1.2724 0.0120   -0.8542 1.1151 -0.0099
N3 1.3767 -0.1612 -0.1292   1.3821 0.1382 -0.0922
O4 -0.7790 -1.0887 0.0033   -0.5270 -1.2306 -0.0118
H5 1.9011 0.6163 0.3489   1.7146 1.0097 0.3957
H6 1.5696 -1.0308 0.4312   1.7422 -0.6702 0.4773
H7 -1.7411 -0.7594 0.0103   -1.5372 -1.1155 -0.0318
Atom - Atom Distances (Å)
  C1 O2 N3 O4 H5 H6 H7
C1 1.2526 1.4757 1.4212 2.0511 2.0540 1.9037
O2 1.2526 2.4417 2.3683 2.6027 3.1883 2.3329
N3 1.4757 2.4417 2.3505 1.0527 1.0523 3.1777
O4 1.4212 2.3683 2.3505 3.1952 2.3880 1.0169
H5 2.0511 2.6027 1.0527 3.1952 1.6821 3.9081
H6 2.0540 3.1883 1.0523 2.3880 1.6821 3.3484
H7 1.9037 2.3329 3.1777 1.0169 3.9081 3.3484
Maximum atom distance is 3.9081Å 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 126.823 O2 C1 O4 124.572
N3 C1 O4 108.448
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N3 H5 107.249 C1 N3 H6 107.497
C1 O4 H7 101.379 H5 N3 H6 106.089

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