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	hartrees
Energy at 0K	-205.077629
Energy at 298.15K
HF Energy	-204.227476
Nuclear repulsion energy	124.319496

Atom	x (Å)	y (Å)	z (Å)
C1	-0.019	0.121	0.000
N2	-0.224	1.383	0.009
N3	-0.966	-0.895	0.079
N4	1.273	-0.374	-0.084
H5	-1.217	1.589	-0.040
H6	-1.914	-0.587	-0.056
H7	-0.745	-1.713	-0.466
H8	1.955	0.359	0.033
H9	1.453	-1.172	0.503

	C1	N2	N3	N4	H5	H6	H7	H8	H9
C1		1.2787	1.3906	1.3861	1.8954	2.0234	2.0263	1.9884	2.0225
N2	1.2787		2.3962	2.3100	1.0149	2.5959	3.1747	2.4076	3.0958
N3	1.3906	2.3962		2.3047	2.4994	1.0057	1.0073	3.1787	2.4716
N4	1.3861	2.3100	2.3047		3.1708	3.1943	2.4520	1.0074	1.0071
H5	1.8954	1.0149	2.4994	3.1708		2.2852	3.3625	3.4025	3.8790
H6	2.0234	2.5959	1.0057	3.1943	2.2852		1.6735	3.9835	3.4630
H7	2.0263	3.1747	1.0073	2.4520	3.3625	1.6735		3.4394	2.4624
H8	1.9884	2.4076	3.1787	1.0074	3.4025	3.9835	3.4394		1.6779
H9	2.0225	3.0958	2.4716	1.0071	3.8790	3.4630	2.4624	1.6779

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H5	110.942	C1	N3	H6	114.254
C1	N3	H7	114.401	C1	N4	H8	111.364
C1	N4	H9	114.441	N2	C1	N3	127.665
N2	C1	N4	120.132	N3	C1	N4	112.201
H6	N3	H7	112.474	H8	N4	H9	112.804

All results from a given calculation for CH₅N₃ (Guanidine)

using model chemistry: MP2/aug-cc-pVQZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for CH5N3 (Guanidine)

using model chemistry: MP2/aug-cc-pVQZ

States and conformations

All results from a given calculation for CH₅N₃ (Guanidine)