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	hartrees
Energy at 0K	-203.400143
Energy at 298.15K	-203.407720
HF Energy	-202.971105
Nuclear repulsion energy	122.450225

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3626	3468	7.44
2	A	3606	3450	8.58
3	A	3510	3358	7.68
4	A	3490	3338	6.72
5	A	3340	3195	14.05
6	A	1768	1692	139.81
7	A	1721	1646	73.43
8	A	1710	1636	61.71
9	A	1453	1389	155.25
10	A	1220	1167	26.79
11	A	1166	1116	66.69
12	A	1125	1076	52.05
13	A	912	872	3.02
14	A	870	832	56.65
15	A	746	713	312.34
16	A	627	600	191.84
17	A	546	523	214.13
18	A	536	512	146.94
19	A	472	452	0.23
20	A	403	386	48.42
21	A	354	339	9.37

Atom	x (Å)	y (Å)	z (Å)
C1	-0.019	0.132	0.003
N2	-0.140	1.412	0.013
N3	-1.030	-0.856	0.058
N4	1.265	-0.459	-0.072
H5	-1.122	1.726	-0.061
H6	-1.990	-0.524	0.052
H7	-0.861	-1.686	-0.503
H8	2.003	0.241	-0.078
H9	1.422	-1.225	0.581

	C1	N2	N3	N4	H5	H6	H7	H8	H9
C1		1.2860	1.4145	1.4156	1.9399	2.0781	2.0662	2.0267	2.0615
N2	1.2860		2.4362	2.3419	1.0330	2.6778	3.2223	2.4441	3.1169
N3	1.4145	2.4362		2.3333	2.5861	1.0155	1.0163	3.2288	2.5345
N4	1.4156	2.3419	2.3333		3.2364	3.2585	2.4923	1.0176	1.0183
H5	1.9399	1.0330	2.5861	3.2364		2.4146	3.4509	3.4598	3.9484
H6	2.0781	2.6778	1.0155	3.2585	2.4146		1.7129	4.0682	3.5232
H7	2.0662	3.2223	1.0163	2.4923	3.4509	1.7129		3.4784	2.5686
H8	2.0267	2.4441	3.2288	1.0176	3.4598	4.0682	3.4784		1.7094
H9	2.0615	3.1169	2.5345	1.0183	3.9484	3.5232	2.5686	1.7094

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H5	113.093	C1	N3	H6	116.604
C1	N3	H7	115.450	C1	N4	H8	111.760
C1	N4	H9	114.792	N2	C1	N3	128.816
N2	C1	N4	120.114	N3	C1	N4	111.070
H6	N3	H7	114.927	H8	N4	H9	114.205

All results from a given calculation for CH₅N₃ (Guanidine)

using model chemistry: CCD/3-21G*

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: CCD/3-21G*

States and conformations

All results from a given calculation for CH₅N₃ (Guanidine)