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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

B1B95/6-31G(2df,p)


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0198 0.1222 0.0000   0.0645 0.1056 0.0021
N2 -0.2281 1.3778 0.0097   0.7314 1.1892 0.0335
N3 -0.9613 -0.8958 0.0808   0.5491 -1.1931 0.0901
N4 1.2726 -0.3711 -0.0872   -1.3157 0.1379 -0.1206
H5 -1.2211 1.5814 -0.0404   1.7287 1.0025 0.0083
H6 -1.9083 -0.5915 -0.0672   1.5444 -1.2688 -0.0326
H7 -0.7359 -1.7119 -0.4656   0.0462 -1.8611 -0.4722
H8 1.9458 0.3687 0.0318   -1.6623 1.0768 -0.0067
H9 1.4555 -1.1560 0.5177   -1.7972 -0.5220 0.4694
Atom - Atom Distances (Å)
  C1 N2 N3 N4 H5 H6 H7 H8 H9
C1 1.2728 1.3889 1.3860 1.8905 2.0199 2.0232 1.9812 2.0194
N2 1.2728 2.3900 2.3065 1.0149 2.5898 3.1670 2.3967 3.0842
N3 1.3889 2.3900 2.3008 2.4937 1.0057 1.0076 3.1705 2.4697
N4 1.3860 2.3065 2.3008 3.1675 3.1885 2.4443 1.0073 1.0077
H5 1.8905 1.0149 2.4937 3.1675 2.2791 3.3559 3.3919 3.8689
H6 2.0199 2.5898 1.0057 3.1885 2.2791 1.6699 3.9731 3.4606
H7 2.0232 3.1670 1.0076 2.4443 3.3559 1.6699 3.4303 2.4654
H8 1.9812 2.3967 3.1705 1.0073 3.3919 3.9731 3.4303 1.6736
H9 2.0194 3.0842 2.4697 1.0077 3.8689 3.4606 2.4654 1.6736
Maximum atom distance is 3.9731Å 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 127.709 N2 C1 N4 120.273
N3 C1 N4 112.015
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N2 H5 110.954 C1 N3 H6 114.075
C1 N3 H7 114.232 C1 N4 H8 110.754
C1 N4 H9 114.122 H6 N3 H7 112.081
H8 N4 H9 112.325

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