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	hartrees
Energy at 0K	-224.920373
Energy at 298.15K	-224.924679
HF Energy	-224.200891
Nuclear repulsion energy	153.126359

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3262	3115
2	A₁	3249	3102
3	A₁	1493	1426
4	A₁	1381	1319
5	A₁	1193	1139
6	A₁	1052	1005
7	A₁	931	889
8	A₂	946	903
9	A₂	591	565
10	B₁	911	870
11	B₁	847	808
12	B₁	535	511
13	B₂	3239	3092
14	B₂	1635	1561
15	B₂	1316	1257
16	B₂	1218	1163
17	B₂	988	943
18	B₂	436	417

Atom	y (Å)	z (Å)
C1	0.000	1.092
N2	1.172	0.371
N3	-1.172	0.371
C4	0.727	-0.871
C5	-0.727	-0.871
H6	0.000	2.180
H7	1.393	-1.732
H8	-1.393	-1.732

	C1	N2	N3	C4	C5	H6	H7	H8
C1		1.3762	1.3762	2.0938	2.0938	1.0876	3.1491	3.1491
N2	1.3762		2.3441	1.3195	2.2692	2.1554	2.1145	3.3170
N3	1.3762	2.3441		2.2692	1.3195	2.1554	3.3170	2.1145
C4	2.0938	1.3195	2.2692		1.4538	3.1366	1.0884	2.2881
C5	2.0938	2.2692	1.3195	1.4538		3.1366	2.2881	1.0884
H6	1.0876	2.1554	2.1554	3.1366	3.1366		4.1525	4.1525
H7	3.1491	2.1145	3.3170	1.0884	2.2881	4.1525		2.7863
H8	3.1491	3.3170	2.1145	2.2881	1.0884	4.1525	2.7863

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	101.897	C1	N3	C5	101.897
N2	C1	N3	116.779	N2	C1	H6	121.611
N2	C4	C5	109.714	N2	C4	H7	122.542
N3	C1	H6	121.611	N3	C5	C4	109.714
N3	C5	H8	122.542	C4	C5	H8	127.744
C5	C4	H7	127.744

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

using model chemistry: MP4/6-31G*

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: MP4/6-31G*

States and conformations

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