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	hartrees
Energy at 0K	-224.940972
Energy at 298.15K
HF Energy	-224.231951
Nuclear repulsion energy	153.324353

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3296	3195	6.22
2	A₁	3287	3186	13.54
3	A₁	1465	1420	60.31
4	A₁	1400	1357	69.35
5	A₁	1229	1191	62.88
6	A₁	1068	1035	14.30
7	A₁	929	901	1.12
8	A₂	1017	986	0.00
9	A₂	600	581	0.00
10	B₁	989	959	2.05
11	B₁	892	865	15.25
12	B₁	532	515	39.75
13	B₂	3271	3170	0.63
14	B₂	1653	1602	80.23
15	B₂	1297	1257	0.17
16	B₂	1208	1171	41.46
17	B₂	988	957	43.61
18	B₂	280i	272i	0.16

Atom	y (Å)	z (Å)
C1	0.000	1.089
N2	1.170	0.373
N3	-1.170	0.373
C4	0.722	-0.872
C5	-0.722	-0.872
H6	0.000	2.179
H7	1.388	-1.735
H8	-1.388	-1.735

	C1	N2	N3	C4	C5	H6	H7	H8
C1		1.3719	1.3719	2.0901	2.0901	1.0894	3.1472	3.1472
N2	1.3719		2.3396	1.3231	2.2644	2.1518	2.1192	3.3144
N3	1.3719	2.3396		2.2644	1.3231	2.1518	3.3144	2.1192
C4	2.0901	1.3231	2.2644		1.4434	3.1352	1.0903	2.2793
C5	2.0901	2.2644	1.3231	1.4434		3.1352	2.2793	1.0903
H6	1.0894	2.1518	2.1518	3.1352	3.1352		4.1528	4.1528
H7	3.1472	2.1192	3.3144	1.0903	2.2793	4.1528		2.7759
H8	3.1472	3.3144	2.1192	2.2793	1.0903	4.1528	2.7759

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	101.697	C1	N3	C5	101.697
N2	C1	N3	117.014	N2	C1	H6	121.493
N2	C4	C5	109.797	N2	C4	H7	122.535
N3	C1	H6	121.493	N3	C5	C4	109.797
N3	C5	H8	122.535	C4	C5	H8	127.668
C5	C4	H7	127.668

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

using model chemistry: MP2=FULL/aug-cc-pVDZ

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=FULL/aug-cc-pVDZ

States and conformations

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