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	hartrees
Energy at 0K	-204.892399
Energy at 298.15K
HF Energy	-204.164536
Nuclear repulsion energy	122.690561

Atom	x (Å)	y (Å)	z (Å)
C1	-0.019	0.124	0.000
N2	-0.214	1.404	0.009
N3	-0.985	-0.904	0.087
N4	1.287	-0.396	-0.091
H5	-1.219	1.611	-0.040
H6	-1.936	-0.571	-0.059
H7	-0.774	-1.694	-0.522
H8	1.974	0.347	0.028
H9	1.452	-1.164	0.558

	C1	N2	N3	N4	H5	H6	H7	H8	H9
C1		1.2951	1.4132	1.4082	1.9117	2.0400	2.0366	2.0053	2.0329
N2	1.2951		2.4344	2.3455	1.0274	2.6210	3.1927	2.4298	3.1100
N3	1.4132	2.4344		2.3352	2.5287	1.0177	1.0197	3.2133	2.4960
N4	1.4082	2.3455	2.3352		3.2109	3.2278	2.4740	1.0188	1.0195
H5	1.9117	1.0274	2.5287	3.2109		2.2966	3.3695	3.4347	3.8979
H6	2.0400	2.6210	1.0177	3.2278	2.2966		1.6808	4.0171	3.4943
H7	2.0366	3.1927	1.0197	2.4740	3.3695	1.6808		3.4674	2.5305
H8	2.0053	2.4298	3.2133	1.0188	3.4347	4.0171	3.4674		1.6844
H9	2.0329	3.1100	2.4960	1.0195	3.8979	3.4943	2.5305	1.6844

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H5	110.265	C1	N3	H6	113.097
C1	N3	H7	112.667	C1	N4	H8	110.406
C1	N4	H9	112.748	N2	C1	N3	127.959
N2	C1	N4	120.318	N3	C1	N4	111.720
H6	N3	H7	111.174	H8	N4	H9	111.453

All results from a given calculation for CH₅N₃ (Guanidine)

using model chemistry: QCISD(T)/aug-cc-pVDZ

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(T)/aug-cc-pVDZ

States and conformations

All results from a given calculation for CH₅N₃ (Guanidine)