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	hartrees
Energy at 0K	-224.854247
Energy at 298.15K	-224.858812
HF Energy	-224.247249
Nuclear repulsion energy	154.327339

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3358	3107	2.06
2	A₁	3343	3093	17.91
3	A₁	1554	1437	33.93
4	A₁	1390	1286	76.05
5	A₁	1225	1133	36.04
6	A₁	1053	974	3.39
7	A₁	967	894	3.65
8	A₂	953	882	0.00
9	A₂	600	555	0.00
10	B₁	922	853	0.92
11	B₁	846	783	21.22
12	B₁	569	527	39.61
13	B₂	3328	3079	0.50
14	B₂	1647	1524	33.95
15	B₂	1351	1250	0.09
16	B₂	1234	1142	23.24
17	B₂	1045	967	50.33
18	B₂	725	670	0.02

Atom	y (Å)	z (Å)
C1	0.000	1.087
N2	1.156	0.367
N3	-1.156	0.367
C4	0.732	-0.866
C5	-0.732	-0.866
H6	0.000	2.163
H7	1.396	-1.716
H8	-1.396	-1.716

	C1	N2	N3	C4	C5	H6	H7	H8
C1		1.3615	1.3615	2.0853	2.0853	1.0767	3.1306	3.1306
N2	1.3615		2.3117	1.3037	2.2550	2.1360	2.0964	3.2937
N3	1.3615	2.3117		2.2550	1.3037	2.1360	3.2937	2.0964
C4	2.0853	1.3037	2.2550		1.4643	3.1164	1.0781	2.2914
C5	2.0853	2.2550	1.3037	1.4643		3.1164	2.2914	1.0781
H6	1.0767	2.1360	2.1360	3.1164	3.1164		4.1223	4.1223
H7	3.1306	2.0964	3.2937	1.0781	2.2914	4.1223		2.7917
H8	3.1306	3.2937	2.0964	2.2914	1.0781	4.1223	2.7917

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	102.938	C1	N3	C5	102.938
N2	C1	N3	116.195	N2	C1	H6	121.903
N2	C4	C5	108.965	N2	C4	H7	123.040
N3	C1	H6	121.903	N3	C5	C4	108.965
N3	C5	H8	123.040	C4	C5	H8	127.995
C5	C4	H7	127.995

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

using model chemistry: CISD/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 C3H3N2 (imidazolyl radical)

using model chemistry: CISD/6-311G*

States and conformations

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