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	hartrees
Energy at 0K	-225.171974
Energy at 298.15K
HF Energy	-224.277356
Nuclear repulsion energy	154.971104

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3306	3138	0.68
2	A₁	3295	3128	16.83
3	A₁	1479	1405	34.59
4	A₁	1416	1344	74.85
5	A₁	1245	1182	61.84
6	A₁	1079	1024	16.00
7	A₁	944	896	1.57
8	A₂	1054	1000	0.00
9	A₂	614	583	0.00
10	B₁	1010	959	1.88
11	B₁	909	863	14.16
12	B₁	534	507	38.98
13	B₂	3276	3110	0.23
14	B₂	1673	1588	61.55
15	B₂	1323	1256	0.14
16	B₂	1233	1171	36.22
17	B₂	1003	952	50.47
18	B₂	90i	85i	0.68

Atom	y (Å)	z (Å)
C1	0.000	1.079
N2	1.158	0.369
N3	-1.158	0.369
C4	0.715	-0.863
C5	-0.715	-0.863
H6	0.000	2.152
H7	1.370	-1.715
H8	-1.370	-1.715

	C1	N2	N3	C4	C5	H6	H7	H8
C1		1.3580	1.3580	2.0689	2.0689	1.0737	3.1111	3.1111
N2	1.3580		2.3156	1.3089	2.2415	2.1263	2.0943	3.2756
N3	1.3580	2.3156		2.2415	1.3089	2.1263	3.2756	2.0943
C4	2.0689	1.3089	2.2415		1.4300	3.0988	1.0744	2.2521
C5	2.0689	2.2415	1.3089	1.4300		3.0988	2.2521	1.0744
H6	1.0737	2.1263	2.1263	3.0988	3.0988		4.1025	4.1025
H7	3.1111	2.0943	3.2756	1.0744	2.2521	4.1025		2.7395
H8	3.1111	3.2756	2.0943	2.2521	1.0744	4.1025	2.7395

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	101.737	C1	N3	C5	101.737
N2	C1	N3	116.979	N2	C1	H6	121.511
N2	C4	C5	109.774	N2	C4	H7	122.681
N3	C1	H6	121.511	N3	C5	C4	109.774
N3	C5	H8	122.681	C4	C5	H8	127.546
C5	C4	H7	127.546

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

using model chemistry: MP2=FULL/cc-pVTZ

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: MP2=FULL/cc-pVTZ

States and conformations

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