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	hartrees
Energy at 0K	-205.037750
Energy at 298.15K
HF Energy	-204.214740
Nuclear repulsion energy	124.147089

Atom	x (Å)	y (Å)	z (Å)
C1	-0.020	0.123	0.000
N2	-0.242	1.379	0.007
N3	-0.958	-0.907	0.083
N4	1.282	-0.361	-0.087
H5	-1.238	1.573	-0.031
H6	-1.906	-0.605	-0.069
H7	-0.727	-1.712	-0.479
H8	1.954	0.379	0.038
H9	1.465	-1.147	0.517

	C1	N2	N3	N4	H5	H6	H7	H8	H9
C1		1.2762	1.3961	1.3916	1.8944	2.0233	2.0236	1.9906	2.0208
N2	1.2762		2.3974	2.3158	1.0150	2.5908	3.1664	2.4134	3.0916
N3	1.3961	2.3974		2.3123	2.4989	1.0065	1.0082	3.1842	2.4733
N4	1.3916	2.3158	2.3123		3.1774	3.1977	2.4519	1.0078	1.0081
H5	1.8944	1.0150	2.4989	3.1774		2.2789	3.3547	3.4085	3.8737
H6	2.0233	2.5908	1.0065	3.1977	2.2789		1.6687	3.9852	3.4642
H7	2.0236	3.1664	1.0082	2.4519	3.3547	1.6687		3.4387	2.4723
H8	1.9906	2.4134	3.1842	1.0078	3.4085	3.9852	3.4387		1.6733
H9	2.0208	3.0916	2.4733	1.0081	3.8737	3.4642	2.4723	1.6733

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H5	111.037	C1	N3	H6	113.743
C1	N3	H7	113.657	C1	N4	H8	111.108
C1	N4	H9	113.762	N2	C1	N3	127.514
N2	C1	N4	120.400	N3	C1	N4	112.084
H6	N3	H7	111.842	H8	N4	H9	112.208

All results from a given calculation for CH₅N₃ (Guanidine)

using model chemistry: QCISD/aug-cc-pVTZ

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: QCISD/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₅N₃ (Guanidine)