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	hartrees
Energy at 0K	-203.380836
Energy at 298.15K	-203.388420
HF Energy	-202.970841
Nuclear repulsion energy	122.338855

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3656	3478	12.20
2	A	3637	3460	14.03
3	A	3531	3359	10.90
4	A	3513	3342	12.40
5	A	3360	3197	11.77
6	A	1751	1665	75.96
7	A	1717	1634	121.25
8	A	1692	1610	61.91
9	A	1443	1373	159.16
10	A	1204	1145	18.81
11	A	1158	1102	84.33
12	A	1115	1061	51.78
13	A	911	867	4.03
14	A	846	805	43.56
15	A	742	706	307.86
16	A	627	597	182.46
17	A	543	516	160.69
18	A	533	507	203.76
19	A	473	450	0.22
20	A	409	389	42.69
21	A	371	353	19.52

Atom	x (Å)	y (Å)	z (Å)
C1	-0.017	0.129	0.002
N2	-0.103	1.422	0.014
N3	-1.051	-0.832	0.055
N4	1.251	-0.489	-0.070
H5	-1.077	1.756	-0.068
H6	-2.002	-0.481	0.054
H7	-0.899	-1.680	-0.482
H8	2.004	0.194	-0.077
H9	1.393	-1.271	0.564

	C1	N2	N3	N4	H5	H6	H7	H8	H9
C1		1.2958	1.4120	1.4131	1.9423	2.0769	2.0701	2.0237	2.0651
N2	1.2958		2.4455	2.3437	1.0327	2.6888	3.2409	2.4398	3.1291
N3	1.4120	2.4455		2.3306	2.5905	1.0142	1.0150	3.2249	2.5343
N4	1.4131	2.3437	2.3306		3.2339	3.2558	2.4926	1.0166	1.0166
H5	1.9423	1.0327	2.5905	3.2339		2.4233	3.4650	3.4535	3.9571
H6	2.0769	2.6888	1.0142	3.2558	2.4233		1.7153	4.0644	3.5228
H7	2.0701	3.2409	1.0150	2.4926	3.4650	1.7153		3.4793	2.5525
H8	2.0237	2.4398	3.2249	1.0166	3.4535	4.0644	3.4793		1.7119
H9	2.0651	3.1291	2.5343	1.0166	3.9571	3.5228	2.5525	1.7119

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H5	112.559	C1	N3	H6	116.793
C1	N3	H7	116.098	C1	N4	H8	111.762
C1	N4	H9	115.434	N2	C1	N3	129.089
N2	C1	N4	119.742	N3	C1	N4	111.169
H6	N3	H7	115.401	H8	N4	H9	114.699

All results from a given calculation for CH₅N₃ (Guanidine)

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

All results from a given calculation for CH₅N₃ (Guanidine)