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	hartrees
Energy at 0K	-204.802996
Energy at 298.15K	-204.810737
HF Energy	-204.137515
Nuclear repulsion energy	123.858115

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3756	3521	11.77
2	A	3751	3517	17.03
3	A	3644	3417	10.12
4	A	3638	3411	15.43
5	A	3582	3358	4.94
6	A	1834	1720	251.31
7	A	1703	1597	134.81
8	A	1686	1581	27.17
9	A	1509	1415	104.91
10	A	1242	1164	22.49
11	A	1179	1105	61.72
12	A	1149	1077	14.64
13	A	964	904	4.93
14	A	882	827	63.10
15	A	822	771	314.77
16	A	724	679	195.14
17	A	607	569	159.46
18	A	547	513	13.72
19	A	484	454	0.08
20	A	403	378	25.15
21	A	365	342	40.31

Atom	x (Å)	y (Å)	z (Å)
C1	-0.019	0.126	-0.000
N2	-0.196	1.391	0.009
N3	-0.987	-0.884	0.086
N4	1.271	-0.407	-0.091
H5	-1.188	1.612	-0.032
H6	-1.927	-0.553	-0.069
H7	-0.779	-1.673	-0.509
H8	1.958	0.324	0.017
H9	1.429	-1.157	0.567

	C1	N2	N3	N4	H5	H6	H7	H8	H9
C1		1.2775	1.4022	1.3987	1.8913	2.0261	2.0178	1.9869	2.0156
N2	1.2775		2.4102	2.3229	1.0172	2.6035	3.1613	2.4039	3.0731
N3	1.4022	2.4102		2.3152	2.5072	1.0080	1.0095	3.1846	2.4786
N4	1.3987	2.3229	2.3152		3.1825	3.2013	2.4452	1.0091	1.0098
H5	1.8913	1.0172	2.5072	3.1825		2.2875	3.3444	3.4000	3.8568
H6	2.0261	2.6035	1.0080	3.2013	2.2875		1.6634	3.9835	3.4681
H7	2.0178	3.1613	1.0095	2.4452	3.3444	1.6634		3.4285	2.5092
H8	1.9869	2.4039	3.1846	1.0091	3.4000	3.9835	3.4285		1.6665
H9	2.0156	3.0731	2.4786	1.0098	3.8568	3.4681	2.5092	1.6665

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H5	110.510	C1	N3	H6	113.405
C1	N3	H7	112.563	C1	N4	H8	110.171
C1	N4	H9	112.629	N2	C1	N3	128.105
N2	C1	N4	120.388	N3	C1	N4	111.503
H6	N3	H7	111.074	H8	N4	H9	111.267

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)