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	hartrees
Energy at 0K	-225.167892
Energy at 298.15K	-225.172231
HF Energy	-224.277039
Nuclear repulsion energy	153.567994

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3252	3152
2	A₁	3233	3134
3	A₁	1453	1408
4	A₁	1364	1322
5	A₁	1191	1154
6	A₁	1028	996
7	A₁	922	894
8	A₂	973	943
9	A₂	565	547
10	B₁	933	904
11	B₁	873	846
12	B₁	539	522
13	B₂	3220	3121
14	B₂	1614	1564
15	B₂	1300	1260
16	B₂	1212	1174
17	B₂	983	953
18	B₂	441	428

Atom	y (Å)	z (Å)
C1	0.000	1.089
N2	1.168	0.371
N3	-1.168	0.371
C4	0.725	-0.870
C5	-0.725	-0.870
H6	0.000	2.169
H7	1.388	-1.725
H8	-1.388	-1.725

	C1	N2	N3	C4	C5	H6	H7	H8
C1		1.3714	1.3714	2.0889	2.0889	1.0806	3.1380	3.1380
N2	1.3714		2.3365	1.3173	2.2638	2.1450	2.1075	3.3057
N3	1.3714	2.3365		2.2638	1.3173	2.1450	3.3057	2.1075
C4	2.0889	1.3173	2.2638		1.4507	3.1248	1.0820	2.2799
C5	2.0889	2.2638	1.3173	1.4507		3.1248	2.2799	1.0820
H6	1.0806	2.1450	2.1450	3.1248	3.1248		4.1348	4.1348
H7	3.1380	2.1075	3.3057	1.0820	2.2799	4.1348		2.7758
H8	3.1380	3.3057	2.1075	2.2799	1.0820	4.1348	2.7758

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	101.939	C1	N3	C5	101.939
N2	C1	N3	116.828	N2	C1	H6	121.586
N2	C4	C5	109.647	N2	C4	H7	122.595
N3	C1	H6	121.586	N3	C5	C4	109.647
N3	C5	H8	122.595	C4	C5	H8	127.758
C5	C4	H7	127.758

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

using model chemistry: MP4/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: MP4/cc-pVTZ

States and conformations

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