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	hartrees
Energy at 0K	-224.928236
Energy at 298.15K	-224.932695
HF Energy	-224.219771
Nuclear repulsion energy	152.029886

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3275	3102	2.53
2	A₁	3263	3091	9.86
3	A₁	1499	1420	16.30
4	A₁	1324	1254	44.39
5	A₁	1164	1102	26.37
6	A₁	1002	949	2.05
7	A₁	918	870	4.05
8	A₂	884	838	0.00
9	A₂	569	539	0.00
10	B₁	865	819	0.70
11	B₁	777	736	20.96
12	B₁	532	504	28.82
13	B₂	3249	3078	1.18
14	B₂	1561	1478	17.63
15	B₂	1299	1230	0.00
16	B₂	1192	1129	5.91
17	B₂	1013	960	56.40
18	B₂	790	748	0.07

Atom	y (Å)	z (Å)
C1	0.000	1.099
N2	1.177	0.373
N3	-1.177	0.373
C4	0.743	-0.878
C5	-0.743	-0.878
H6	0.000	2.192
H7	1.415	-1.740
H8	-1.415	-1.740

	C1	N2	N3	C4	C5	H6	H7	H8
C1		1.3825	1.3825	2.1115	2.1115	1.0925	3.1724	3.1724
N2	1.3825		2.3535	1.3241	2.2910	2.1658	2.1271	3.3442
N3	1.3825	2.3535		2.2910	1.3241	2.1658	3.3442	2.1271
C4	2.1115	1.3241	2.2910		1.4851	3.1577	1.0938	2.3235
C5	2.1115	2.2910	1.3241	1.4851		3.1577	2.3235	1.0938
H6	1.0925	2.1658	2.1658	3.1577	3.1577		4.1788	4.1788
H7	3.1724	2.1271	3.3442	1.0938	2.3235	4.1788		2.8295
H8	3.1724	3.3442	2.1271	2.3235	1.0938	4.1788	2.8295

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	102.522	C1	N3	C5	102.522
N2	C1	N3	116.674	N2	C1	H6	121.663
N2	C4	C5	109.141	N2	C4	H7	122.938
N3	C1	H6	121.663	N3	C5	C4	109.141
N3	C5	H8	122.938	C4	C5	H8	127.921
C5	C4	H7	127.921

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

using model chemistry: CCSD/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: CCSD/cc-pVDZ

States and conformations

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