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	hartrees
Energy at 0K	-204.858986
Energy at 298.15K	-204.866726
HF Energy	-204.183745
Nuclear repulsion energy	123.790191

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3704	3520	15.06
2	A	3701	3517	21.11
3	A	3593	3414	7.35
4	A	3589	3410	22.72
5	A	3544	3367	4.22
6	A	1773	1685	223.45
7	A	1652	1570	136.79
8	A	1635	1554	30.73
9	A	1472	1399	94.98
10	A	1211	1151	19.11
11	A	1154	1097	69.36
12	A	1125	1069	17.13
13	A	950	902	5.70
14	A	858	815	72.85
15	A	808	768	270.44
16	A	722	686	166.38
17	A	602	572	162.80
18	A	538	511	14.83
19	A	479	456	0.11
20	A	413	393	20.58
21	A	371	353	39.75

Atom	x (Å)	y (Å)	z (Å)
C1	-0.018	0.125	-0.001
N2	-0.190	1.395	0.010
N3	-0.989	-0.882	0.087
N4	1.269	-0.411	-0.091
H5	-1.186	1.606	-0.039
H6	-1.928	-0.545	-0.071
H7	-0.779	-1.673	-0.509
H8	1.957	0.320	0.025
H9	1.418	-1.169	0.562

	C1	N2	N3	N4	H5	H6	H7	H8	H9
C1		1.2820	1.4015	1.3972	1.8860	2.0247	2.0169	1.9855	2.0140
N2	1.2820		2.4151	2.3244	1.0189	2.6061	3.1670	2.4019	3.0771
N3	1.4015	2.4151		2.3127	2.4991	1.0102	1.0116	3.1825	2.4703
N4	1.3972	2.3244	2.3127		3.1774	3.1992	2.4406	1.0112	1.0116
H5	1.8860	1.0189	2.4991	3.1774		2.2754	3.3369	3.3967	3.8527
H6	2.0247	2.6061	1.0102	3.1992	2.2754		1.6684	3.9813	3.4622
H7	2.0169	3.1670	1.0116	2.4406	3.3369	1.6684		3.4265	2.4956
H8	1.9855	2.4019	3.1825	1.0112	3.3967	3.9813	3.4265		1.6719
H9	2.0140	3.0771	2.4703	1.0116	3.8527	3.4622	2.4956	1.6719

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H5	109.569	C1	N3	H6	113.185
C1	N3	H7	112.399	C1	N4	H8	110.020
C1	N4	H9	112.474	N2	C1	N3	128.252
N2	C1	N4	120.289	N3	C1	N4	111.453
H6	N3	H7	111.220	H8	N4	H9	111.487

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)