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	hartrees
Energy at 0K	-225.171076
Energy at 298.15K	-225.175500
HF Energy	-224.276628
Nuclear repulsion energy	152.687885

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3245	3078
2	A₁	3235	3069
3	A₁	1447	1372
4	A₁	1310	1243
5	A₁	1151	1092
6	A₁	991	940
7	A₁	908	862
8	A₂	873	829
9	A₂	542	514
10	B₁	863	819
11	B₁	782	741
12	B₁	520	493
13	B₂	3223	3058
14	B₂	1527	1448
15	B₂	1297	1231
16	B₂	1190	1129
17	B₂	1002	950
18	B₂	782	742

Atom	y (Å)	z (Å)
C1	0.000	1.097
N2	1.171	0.373
N3	-1.171	0.373
C4	0.737	-0.877
C5	-0.737	-0.877
H6	0.000	2.177
H7	1.402	-1.728
H8	-1.402	-1.728

	C1	N2	N3	C4	C5	H6	H7	H8
C1		1.3771	1.3771	2.1067	2.1067	1.0804	3.1543	3.1543
N2	1.3771		2.3424	1.3225	2.2807	2.1515	2.1137	3.3223
N3	1.3771	2.3424		2.2807	1.3225	2.1515	3.3223	2.1137
C4	2.1067	1.3225	2.2807		1.4738	3.1416	1.0810	2.3027
C5	2.1067	2.2807	1.3225	1.4738		3.1416	2.3027	1.0810
H6	1.0804	2.1515	2.1515	3.1416	3.1416		4.1499	4.1499
H7	3.1543	2.1137	3.3223	1.0810	2.3027	4.1499		2.8049
H8	3.1543	3.3223	2.1137	2.3027	1.0810	4.1499	2.8049

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	102.565	C1	N3	C5	102.565
N2	C1	N3	116.528	N2	C1	H6	121.736
N2	C4	C5	109.172	N2	C4	H7	122.827
N3	C1	H6	121.736	N3	C5	C4	109.172
N3	C5	H8	122.827	C4	C5	H8	128.002
C5	C4	H7	128.002

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

using model chemistry: QCISD(T)/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: QCISD(T)/cc-pVTZ

States and conformations

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