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	hartrees
Energy at 0K	-225.120109
Energy at 298.15K	-225.124418
HF Energy	-224.250829
Nuclear repulsion energy	153.270928

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3259	3134
2	A₁	3241	3116
3	A₁	1479	1422
4	A₁	1361	1309
5	A₁	1184	1139
6	A₁	1029	990
7	A₁	923	887
8	A₂	955	918
9	A₂	578	556
10	B₁	911	876
11	B₁	853	821
12	B₁	528	508
13	B₂	3227	3102
14	B₂	1622	1560
15	B₂	1295	1246
16	B₂	1207	1161
17	B₂	982	944
18	B₂	428	411

Atom	y (Å)	z (Å)
C1	0.000	1.090
N2	1.171	0.370
N3	-1.171	0.370
C4	0.729	-0.870
C5	-0.729	-0.870
H6	0.000	2.175
H7	1.394	-1.729
H8	-1.394	-1.729

	C1	N2	N3	C4	C5	H6	H7	H8
C1		1.3747	1.3747	2.0908	2.0908	1.0850	3.1449	3.1449
N2	1.3747		2.3426	1.3165	2.2690	2.1514	2.1111	3.3149
N3	1.3747	2.3426		2.2690	1.3165	2.1514	3.3149	2.1111
C4	2.0908	1.3165	2.2690		1.4579	3.1306	1.0867	2.2904
C5	2.0908	2.2690	1.3165	1.4579		3.1306	2.2904	1.0867
H6	1.0850	2.1514	2.1514	3.1306	3.1306		4.1454	4.1454
H7	3.1449	2.1111	3.3149	1.0867	2.2904	4.1454		2.7883
H8	3.1449	3.3149	2.1111	2.2904	1.0867	4.1454	2.7883

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	101.934	C1	N3	C5	101.934
N2	C1	N3	116.867	N2	C1	H6	121.567
N2	C4	C5	109.632	N2	C4	H7	122.628
N3	C1	H6	121.567	N3	C5	C4	109.632
N3	C5	H8	122.628	C4	C5	H8	127.740
C5	C4	H7	127.740

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

using model chemistry: MP4=FULL/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: MP4=FULL/6-311G**

States and conformations

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