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	hartrees
Energy at 0K	-221.647989
Energy at 298.15K	-221.651860
HF Energy	-221.335247
Nuclear repulsion energy	147.043577

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3539	3539
2	A₁	3533	3533
3	A₁	1522	1522
4	A₁	1317	1317
5	A₁	1136	1136
6	A₁	1010	1010
7	A₁	888	888
8	A₂	870	870
9	A₂	576	576
10	B₁	830	830
11	B₁	690	690
12	B₁	504	504
13	B₂	3525	3525
14	B₂	1547	1547
15	B₂	1314	1314
16	B₂	1183	1183
17	B₂	966	966
18	B₂	495	495

Atom	y (Å)	z (Å)
C1	0.000	1.137
N2	1.239	0.381
N3	-1.239	0.381
C4	0.753	-0.902
C5	-0.753	-0.902
H6	0.000	2.241
H7	1.414	-1.784
H8	-1.414	-1.784

	C1	N2	N3	C4	C5	H6	H7	H8
C1		1.4513	1.4513	2.1735	2.1735	1.1043	3.2452	3.2452
N2	1.4513		2.4774	1.3718	2.3688	2.2352	2.1717	3.4241
N3	1.4513	2.4774		2.3688	1.3718	2.2352	3.4241	2.1717
C4	2.1735	1.3718	2.3688		1.5054	3.2322	1.1024	2.3397
C5	2.1735	2.3688	1.3718	1.5054		3.2322	2.3397	1.1024
H6	1.1043	2.2352	2.2352	3.2322	3.2322		4.2664	4.2664
H7	3.2452	2.1717	3.4241	1.1024	2.3397	4.2664		2.8288
H8	3.2452	3.4241	2.1717	2.3397	1.1024	4.2664	2.8288

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	100.654	C1	N3	C5	100.654
N2	C1	N3	117.193	N2	C1	H6	121.403
N2	C4	C5	110.749	N2	C4	H7	122.366
N3	C1	H6	121.403	N3	C5	C4	110.749
N3	C5	H8	122.366	C4	C5	H8	126.885
C5	C4	H7	126.885

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

using model chemistry: ROMP2/STO-3G

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/STO-3G

States and conformations

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