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	hartrees
Energy at 0K	-204.794726
Energy at 298.15K	-204.802450
HF Energy	-204.137297
Nuclear repulsion energy	123.868161

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3760	3513	16.70
2	A	3755	3508	22.90
3	A	3637	3398	11.71
4	A	3632	3394	21.39
5	A	3580	3345	4.06
6	A	1798	1680	216.39
7	A	1686	1576	141.83
8	A	1668	1558	28.12
9	A	1492	1394	107.75
10	A	1221	1141	18.09
11	A	1160	1084	72.23
12	A	1134	1060	11.83
13	A	961	898	6.03
14	A	862	805	56.49
15	A	801	749	311.92
16	A	708	661	187.40
17	A	603	564	177.81
18	A	541	506	14.54
19	A	481	450	0.08
20	A	415	387	19.34
21	A	373	348	38.50

Atom	x (Å)	y (Å)	z (Å)
C1	-0.018	0.124	-0.000
N2	-0.171	1.398	0.010
N3	-0.999	-0.870	0.084
N4	1.261	-0.427	-0.089
H5	-1.159	1.635	-0.042
H6	-1.935	-0.526	-0.061
H7	-0.803	-1.667	-0.503
H8	1.958	0.295	0.015
H9	1.409	-1.185	0.560

	C1	N2	N3	N4	H5	H6	H7	H8	H9
C1		1.2837	1.3987	1.3948	1.8944	2.0254	2.0187	1.9835	2.0160
N2	1.2837		2.4156	2.3215	1.0175	2.6119	3.1715	2.3977	3.0777
N3	1.3987	2.4156		2.3089	2.5135	1.0079	1.0093	3.1788	2.4750
N4	1.3948	2.3215	2.3089		3.1793	3.1974	2.4426	1.0092	1.0094
H5	1.8944	1.0175	2.5135	3.1793		2.2970	3.3533	3.3933	3.8618
H6	2.0254	2.6119	1.0079	3.1974	2.2970		1.6669	3.9797	3.4650
H7	2.0187	3.1715	1.0093	2.4426	3.3533	1.6669		3.4263	2.5014
H8	1.9835	2.3977	3.1788	1.0092	3.3933	3.9797	3.4263		1.6700
H9	2.0160	3.0777	2.4750	1.0094	3.8618	3.4650	2.5014	1.6700

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H5	110.283	C1	N3	H6	113.623
C1	N3	H7	112.928	C1	N4	H8	110.161
C1	N4	H9	112.989	N2	C1	N3	128.407
N2	C1	N4	120.101	N3	C1	N4	111.487
H6	N3	H7	111.451	H8	N4	H9	111.645

All results from a given calculation for CH₅N₃ (Guanidine)

using model chemistry: MP2=FULL/6-31G**

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=FULL/6-31G**

States and conformations

All results from a given calculation for CH₅N₃ (Guanidine)