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	hartrees
Energy at 0K	-38.144498
Energy at 298.15K	-38.148442
HF Energy	-37.524761
Nuclear repulsion energy	77.346049

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3295	3128	0.25
2	A₁	3280	3114	33.38
3	A₁	1505	1429	79.03
4	A₁	1391	1321	90.14
5	A₁	1213	1152	58.84
6	A₁	1067	1013	11.85
7	A₁	926	879	2.43
8	A₂	1001	950	0.00
9	A₂	607	576	0.00
10	B₁	987	937	1.95
11	B₁	896	851	22.40
12	B₁	545	517	49.39
13	B₂	3261	3096	0.00
14	B₂	1663	1579	85.16
15	B₂	1305	1239	1.69
16	B₂	1211	1149	48.44
17	B₂	980	930	40.67
18	B₂	111	105	0.07

Atom	y (Å)	z (Å)
C1	0.000	1.091
N2	1.179	0.375
N3	-1.179	0.375
C4	0.731	-0.875
C5	-0.731	-0.875
H6	0.000	2.184
H7	1.402	-1.738
H8	-1.402	-1.738

	C1	N2	N3	C4	C5	H6	H7	H8
C1		1.3795	1.3795	2.0973	2.0973	1.0928	3.1576	3.1576
N2	1.3795		2.3579	1.3270	2.2826	2.1593	2.1248	3.3356
N3	1.3795	2.3579		2.2826	1.3270	2.1593	3.3356	2.1248
C4	2.0973	1.3270	2.2826		1.4629	3.1447	1.0935	2.3016
C5	2.0973	2.2826	1.3270	1.4629		3.1447	2.3016	1.0935
H6	1.0928	2.1593	2.1593	3.1447	3.1447		4.1652	4.1652
H7	3.1576	2.1248	3.3356	1.0935	2.3016	4.1652		2.8040
H8	3.1576	3.3356	2.1248	2.3016	1.0935	4.1652	2.8040

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	101.574	C1	N3	C5	101.574
N2	C1	N3	117.438	N2	C1	H6	121.281
N2	C4	C5	109.707	N2	C4	H7	122.468
N3	C1	H6	121.281	N3	C5	C4	109.707
N3	C5	H8	122.468	C4	C5	H8	127.825
C5	C4	H7	127.825

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

using model chemistry: MP2/CEP-31G*

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/CEP-31G*

States and conformations

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