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	hartrees
Energy at 0K	-204.833240
Energy at 298.15K	-204.841044
HF Energy	-204.167492
Nuclear repulsion energy	123.887897

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3703	3537	8.26
2	A	3699	3533	12.98
3	A	3602	3440	6.65
4	A	3597	3435	12.98
5	A	3537	3378	6.21
6	A	1824	1742	254.31
7	A	1733	1655	148.60
8	A	1715	1638	40.83
9	A	1511	1443	105.32
10	A	1254	1198	27.90
11	A	1188	1135	51.10
12	A	1160	1108	27.38
13	A	959	916	2.85
14	A	898	857	96.84
15	A	853	814	320.02
16	A	753	719	188.41
17	A	624	596	157.24
18	A	553	528	15.95
19	A	487	465	0.19
20	A	411	393	36.46
21	A	370	354	34.57

Atom	x (Å)	y (Å)	z (Å)
C1	-0.018	0.126	-0.000
N2	-0.192	1.389	0.009
N3	-0.990	-0.882	0.084
N4	1.270	-0.411	-0.089
H5	-1.182	1.620	-0.036
H6	-1.930	-0.547	-0.056
H7	-0.785	-1.667	-0.517
H8	1.960	0.320	0.007
H9	1.426	-1.158	0.573

	C1	N2	N3	N4	H5	H6	H7	H8	H9
C1		1.2746	1.4028	1.3988	1.8939	2.0283	2.0180	1.9874	2.0162
N2	1.2746		2.4081	2.3213	1.0172	2.6027	3.1575	2.4028	3.0701
N3	1.4028	2.4081		2.3152	2.5123	1.0085	1.0100	3.1860	2.4803
N4	1.3988	2.3213	2.3152		3.1845	3.2040	2.4469	1.0093	1.0103
H5	1.8939	1.0172	2.5123	3.1845		2.2928	3.3461	3.4002	3.8589
H6	2.0283	2.6027	1.0085	3.2040	2.2928		1.6674	3.9863	3.4695
H7	2.0180	3.1575	1.0100	2.4469	3.3461	1.6674		3.4291	2.5174
H8	1.9874	2.4028	3.1860	1.0093	3.4002	3.9863	3.4291		1.6705
H9	2.0162	3.0701	2.4803	1.0103	3.8589	3.4695	2.5174	1.6705

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H5	110.955	C1	N3	H6	113.515
C1	N3	H7	112.506	C1	N4	H8	110.182
C1	N4	H9	112.629	N2	C1	N3	128.096
N2	C1	N4	120.447	N3	C1	N4	111.453
H6	N3	H7	111.393	H8	N4	H9	111.613

All results from a given calculation for CH₅N₃ (Guanidine)

using model chemistry: CCD/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: CCD/6-311G*

States and conformations

All results from a given calculation for CH₅N₃ (Guanidine)