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	hartrees
Energy at 0K	-204.800902
Energy at 298.15K
HF Energy	-204.137771
Nuclear repulsion energy	123.957094

Atom	x (Å)	y (Å)	z (Å)
C1	-0.020	0.126	-0.000
N2	-0.222	1.387	0.009
N3	-0.970	-0.898	0.080
N4	1.276	-0.382	-0.086
H5	-1.212	1.601	-0.036
H6	-1.918	-0.593	-0.058
H7	-0.747	-1.706	-0.479
H8	1.957	0.353	0.017
H9	1.452	-1.154	0.537

	C1	N2	N3	N4	H5	H6	H7	H8	H9
C1		1.2773	1.3991	1.3950	1.8975	2.0305	2.0283	1.9899	2.0230
N2	1.2773		2.4055	2.3204	1.0142	2.6079	3.1751	2.4119	3.0881
N3	1.3991	2.4055		2.3109	2.5140	1.0055	1.0070	3.1836	2.4779
N4	1.3950	2.3204	2.3109		3.1829	3.2017	2.4501	1.0068	1.0075
H5	1.8975	1.0142	2.5140	3.1829		2.3052	3.3692	3.4067	3.8754
H6	2.0305	2.6079	1.0055	3.2017	2.3052		1.6696	3.9895	3.4678
H7	2.0283	3.1751	1.0070	2.4501	3.3692	1.6696		3.4348	2.4847
H8	1.9899	2.4119	3.1836	1.0068	3.4067	3.9895	3.4348		1.6720
H9	2.0230	3.0881	2.4779	1.0075	3.8754	3.4678	2.4847	1.6720

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H5	111.277	C1	N3	H6	114.223
C1	N3	H7	113.921	C1	N4	H8	110.852
C1	N4	H9	113.737	N2	C1	N3	127.942
N2	C1	N4	120.459	N3	C1	N4	111.596
H6	N3	H7	112.109	H8	N4	H9	112.210

All results from a given calculation for CH₅N₃ (Guanidine)

using model chemistry: MP3/6-31+G**

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: MP3/6-31+G**

States and conformations

All results from a given calculation for CH₅N₃ (Guanidine)