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	hartrees
Energy at 0K	-204.755013
Energy at 298.15K	-204.762763
HF Energy	-204.117455
Nuclear repulsion energy	123.613912

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3671	3475	11.46
2	A	3667	3471	16.99
3	A	3568	3377	10.37
4	A	3562	3371	16.12
5	A	3499	3312	4.88
6	A	1834	1736	247.60
7	A	1708	1617	140.51
8	A	1693	1602	31.83
9	A	1513	1433	105.47
10	A	1247	1180	22.95
11	A	1181	1118	60.48
12	A	1155	1093	15.58
13	A	964	912	2.70
14	A	892	845	81.56
15	A	838	793	345.83
16	A	741	701	197.02
17	A	615	582	151.96
18	A	549	520	13.97
19	A	486	460	0.15
20	A	403	382	34.00
21	A	366	347	37.03

Atom	x (Å)	y (Å)	z (Å)
C1	-0.018	0.126	-0.000
N2	-0.185	1.393	0.009
N3	-0.995	-0.879	0.087
N4	1.269	-0.418	-0.092
H5	-1.179	1.629	-0.034
H6	-1.937	-0.537	-0.065
H7	-0.796	-1.668	-0.521
H8	1.964	0.316	0.011
H9	1.426	-1.164	0.580

	C1	N2	N3	N4	H5	H6	H7	H8	H9
C1		1.2781	1.4038	1.4001	1.8998	2.0316	2.0234	1.9907	2.0211
N2	1.2781		2.4130	2.3243	1.0229	2.6077	3.1662	2.4031	3.0752
N3	1.4038	2.4130		2.3172	2.5174	1.0144	1.0158	3.1914	2.4871
N4	1.4001	2.3243	2.3172		3.1916	3.2089	2.4518	1.0155	1.0162
H5	1.8998	1.0229	2.5174	3.1916		2.2946	3.3550	3.4062	3.8682
H6	2.0316	2.6077	1.0144	3.2089	2.2946		1.6709	3.9938	3.4820
H7	2.0234	3.1662	1.0158	2.4518	3.3550	1.6709		3.4400	2.5305
H8	1.9907	2.4031	3.1914	1.0155	3.4062	3.9938	3.4400		1.6740
H9	2.0211	3.0752	2.4871	1.0162	3.8682	3.4820	2.5305	1.6740

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H5	110.818	C1	N3	H6	113.326
C1	N3	H7	112.504	C1	N4	H8	109.970
C1	N4	H9	112.564	N2	C1	N3	128.178
N2	C1	N4	120.350	N3	C1	N4	111.469
H6	N3	H7	110.774	H8	N4	H9	110.963

All results from a given calculation for CH₅N₃ (Guanidine)

using model chemistry: CCD/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: CCD/6-31G*

States and conformations

All results from a given calculation for CH₅N₃ (Guanidine)