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	hartrees
Energy at 0K	-224.987432
Energy at 298.15K	-224.991736
HF Energy	-224.251042
Nuclear repulsion energy	152.902246

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3302	3302
2	A₁	3286	3286
3	A₁	1569	1569
4	A₁	1344	1344
5	A₁	1161	1161
6	A₁	999	999
7	A₁	915	915
8	A₂	729	729
9	A₂	539	539
10	B₁	739	739
11	B₁	718	718
12	B₁	482	482
13	B₂	3274	3274
14	B₂	1533	1533
15	B₂	1317	1317
16	B₂	1229	1229
17	B₂	1017	1017
18	B₂	821	821

Atom	y (Å)	z (Å)
C1	0.000	1.100
N2	1.170	0.369
N3	-1.170	0.369
C4	0.736	-0.874
C5	-0.736	-0.874
H6	0.000	2.178
H7	1.401	-1.725
H8	-1.401	-1.725

	C1	N2	N3	C4	C5	H6	H7	H8
C1		1.3795	1.3795	2.1065	2.1065	1.0786	3.1532	3.1532
N2	1.3795		2.3395	1.3159	2.2751	2.1550	2.1061	3.3156
N3	1.3795	2.3395		2.2751	1.3159	2.1550	3.3156	2.1061
C4	2.1065	1.3159	2.2751		1.4723	3.1399	1.0801	2.3007
C5	2.1065	2.2751	1.3159	1.4723		3.1399	2.3007	1.0801
H6	1.0786	2.1550	2.1550	3.1399	3.1399		4.1472	4.1472
H7	3.1532	2.1061	3.3156	1.0801	2.3007	4.1472		2.8030
H8	3.1532	3.3156	2.1061	2.3007	1.0801	4.1472	2.8030

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	102.771	C1	N3	C5	102.771
N2	C1	N3	115.978	N2	C1	H6	122.011
N2	C4	C5	109.240	N2	C4	H7	122.737
N3	C1	H6	122.011	N3	C5	C4	109.240
N3	C5	H8	122.737	C4	C5	H8	128.024
C5	C4	H7	128.024

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

using model chemistry: ROMP2/TZVP

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: ROMP2/TZVP

States and conformations

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