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	hartrees
Energy at 0K	-225.178297
Energy at 298.15K	-225.173583
HF Energy	-224.203522
Nuclear repulsion energy	154.396471

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3452	3253	7.75
2	A₁	3435	3236	12.65
3	A₁	1602	1510	28.63
4	A₁	1404	1323	70.27
5	A₁	1235	1164	25.17
6	A₁	1049	988	0.36
7	A₁	991	934	4.19
8	A₂	928	874	0.00
9	A₂	603	568	0.00
10	B₁	906	853	0.50
11	B₁	831	783	19.91
12	B₁	609	574	39.12
13	B₂	3422	3224	2.97
14	B₂	1652	1556	21.75
15	B₂	1411	1329	0.01
16	B₂	1244	1172	16.08
17	B₂	1133	1068	44.78
18	B₂	904	851	6.08

Atom	y (Å)	z (Å)
C1	0.000	1.084
N2	1.165	0.370
N3	-1.165	0.370
C4	0.718	-0.866
C5	-0.718	-0.866
H6	0.000	2.167
H7	1.381	-1.724
H8	-1.381	-1.724

	C1	N2	N3	C4	C5	H6	H7	H8
C1		1.3661	1.3661	2.0777	2.0777	1.0837	3.1292	3.1292
N2	1.3661		2.3294	1.3140	2.2520	2.1420	2.1051	3.2963
N3	1.3661	2.3294		2.2520	1.3140	2.1420	3.2963	2.1051
C4	2.0777	1.3140	2.2520		1.4361	3.1173	1.0845	2.2677
C5	2.0777	2.2520	1.3140	1.4361		3.1173	2.2677	1.0845
H6	1.0837	2.1420	2.1420	3.1173	3.1173		4.1294	4.1294
H7	3.1292	2.1051	3.2963	1.0845	2.2677	4.1294		2.7620
H8	3.1292	3.2963	2.1051	2.2677	1.0845	4.1294	2.7620

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	103.809	C1	N3	C5	103.809
N2	C1	N3	115.656	N2	C1	H6	122.172
N2	C4	C5	108.363	N2	C4	H7	123.598
N3	C1	H6	122.172	N3	C5	C4	108.363
N3	C5	H8	123.598	C4	C5	H8	128.039
C5	C4	H7	128.039

All results from a given calculation for C₃H₃N₂ (imidazolyl radical)

using model chemistry: G2

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 C3H3N2 (imidazolyl radical)

using model chemistry: G2

States and conformations

All results from a given calculation for C₃H₃N₂ (imidazolyl radical)