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	hartrees
Energy at 0K	-204.812763
Energy at 298.15K	-204.820551
HF Energy	-204.167121
Nuclear repulsion energy	123.808563

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3718	3533	13.21
2	A	3714	3529	19.08
3	A	3605	3426	7.47
4	A	3601	3422	19.80
5	A	3546	3370	5.28
6	A	1788	1700	207.17
7	A	1718	1633	159.97
8	A	1697	1613	45.98
9	A	1493	1418	110.80
10	A	1235	1173	23.91
11	A	1169	1111	63.02
12	A	1147	1090	25.01
13	A	954	907	4.54
14	A	879	836	101.75
15	A	826	785	316.50
16	A	736	699	182.36
17	A	618	588	168.73
18	A	546	518	16.12
19	A	484	460	0.20
20	A	424	403	28.73
21	A	379	361	32.53

Atom	x (Å)	y (Å)	z (Å)
C1	-0.018	0.124	-0.002
N2	-0.169	1.397	0.011
N3	-0.999	-0.869	0.083
N4	1.260	-0.428	-0.088
H5	-1.155	1.642	-0.045
H6	-1.936	-0.524	-0.054
H7	-0.805	-1.667	-0.504
H8	1.956	0.295	0.012
H9	1.407	-1.187	0.561

	C1	N2	N3	N4	H5	H6	H7	H8	H9
C1		1.2819	1.3991	1.3947	1.8971	2.0257	2.0198	1.9815	2.0162
N2	1.2819		2.4143	2.3205	1.0170	2.6106	3.1713	2.3945	3.0761
N3	1.3991	2.4143		2.3085	2.5191	1.0079	1.0093	3.1776	2.4737
N4	1.3947	2.3205	2.3085		3.1812	3.1981	2.4438	1.0090	1.0095
H5	1.8971	1.0170	2.5191	3.1812		2.3024	3.3589	3.3908	3.8641
H6	2.0257	2.6106	1.0079	3.1981	2.3024		1.6701	3.9785	3.4632
H7	2.0198	3.1713	1.0093	2.4438	3.3589	1.6701		3.4267	2.5014
H8	1.9815	2.3945	3.1776	1.0090	3.3908	3.9785	3.4267		1.6732
H9	2.0162	3.0761	2.4737	1.0095	3.8641	3.4632	2.5014	1.6732

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H5	110.695	C1	N3	H6	113.627
C1	N3	H7	112.999	C1	N4	H8	110.014
C1	N4	H9	113.007	N2	C1	N3	128.396
N2	C1	N4	120.156	N3	C1	N4	111.439
H6	N3	H7	111.781	H8	N4	H9	111.974

All results from a given calculation for CH₅N₃ (Guanidine)

using model chemistry: MP2/6-311G*

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: MP2/6-311G*

States and conformations

All results from a given calculation for CH₅N₃ (Guanidine)