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Geometry for CH5N3 (Guanidine) 1A C1

1910171554
InChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4) INChIKey=ZRALSGWEFCBTJO-UHFFFAOYSA-N

CCSD(T)=FULL/aug-cc-pVDZ


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0189 0.1234 0.0002   0.0418 0.1176 0.0002
N2 -0.2173 1.4018 0.0087   0.4717 1.3378 0.0081
N3 -0.9817 -0.9051 0.0863   -1.2951 -0.3320 0.0540
N4 1.2866 -0.3923 -0.0905   0.9498 -0.9552 -0.0547
H5 -1.2220 1.6068 -0.0403   -0.3146 1.9932 -0.0692
H6 -1.9333 -0.5754 -0.0549   -1.9731 0.4071 -0.1134
H7 -0.7699 -1.6941 -0.5224   -1.4652 -1.1334 -0.5515
H8 1.9721 0.3513 0.0260   1.9020 -0.6232 0.0847
H9 1.4537 -1.1595 0.5587   0.7160 -1.7035 0.5959
Atom - Atom Distances (Å)
  C1 N2 N3 N4 H5 H6 H7 H8 H9
C1 1.2937 1.4115 1.4066 1.9104 2.0387 2.0348 2.0041 2.0313
N2 1.2937 2.4314 2.3432 1.0266 2.6188 3.1893 2.4284 3.1073
N3 1.4115 2.4314 2.3323 2.5265 1.0169 1.0188 3.2104 2.4938
N4 1.4066 2.3432 2.3323 3.2082 3.2253 2.4719 1.0180 1.0187
H5 1.9104 1.0266 2.5265 3.2082 2.2953 3.3664 3.4326 3.8950
H6 2.0387 2.6188 1.0169 3.2253 2.2953 1.6802 4.0146 3.4913
H7 2.0348 3.1893 1.0188 2.4719 3.3664 1.6802 3.4645 2.5296
H8 2.0041 2.4284 3.2104 1.0180 3.4326 4.0146 3.4645 1.6837
H9 2.0313 3.1073 2.4938 1.0187 3.8950 3.4913 2.5296 1.6837
Maximum atom distance is 4.0146Å between atoms H6 and H8.
picture of Guanidine
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N2 C1 N3 127.947 N2 C1 N4 120.339
N3 C1 N4 111.711
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N2 H5 110.314 C1 N3 H6 113.184
C1 N3 H7 112.708 C1 N4 H8 110.469
C1 N4 H9 112.785 H6 N3 H7 111.259
H8 N4 H9 111.512

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