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	hartrees
Energy at 0K	-224.903821
Energy at 298.15K
HF Energy	-224.206799
Nuclear repulsion energy	154.271209

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3339	3120	0.81
2	A₁	3329	3111	22.69
3	A₁	1517	1418	54.26
4	A₁	1424	1330	81.42
5	A₁	1234	1153	55.36
6	A₁	1088	1016	22.94
7	A₁	946	884	1.95
8	A₂	1010	944	0.00
9	A₂	610	570	0.00
10	B₁	968	904	3.81
11	B₁	897	838	8.97
12	B₁	537	501	42.56
13	B₂	3313	3095	0.07
14	B₂	1693	1582	56.50
15	B₂	1341	1253	0.04
16	B₂	1244	1163	37.94
17	B₂	1000	934	45.37
18	B₂	282i	264i	0.15

Atom	y (Å)	z (Å)
C1	0.000	1.083
N2	1.165	0.369
N3	-1.165	0.369
C4	0.718	-0.866
C5	-0.718	-0.866
H6	0.000	2.161
H7	1.376	-1.721
H8	-1.376	-1.721

	C1	N2	N3	C4	C5	H6	H7	H8
C1		1.3660	1.3660	2.0765	2.0765	1.0785	3.1235	3.1235
N2	1.3660		2.3298	1.3135	2.2518	2.1372	2.1015	3.2902
N3	1.3660	2.3298		2.2518	1.3135	2.1372	3.2902	2.1015
C4	2.0765	1.3135	2.2518		1.4359	3.1109	1.0793	2.2617
C5	2.0765	2.2518	1.3135	1.4359		3.1109	2.2617	1.0793
H6	1.0785	2.1372	2.1372	3.1109	3.1109		4.1192	4.1192
H7	3.1235	2.1015	3.2902	1.0793	2.2617	4.1192		2.7511
H8	3.1235	3.2902	2.1015	2.2617	1.0793	4.1192	2.7511

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C4	101.590	C1	N3	C5	101.590
N2	C1	N3	117.034	N2	C1	H6	121.483
N2	C4	C5	109.893	N2	C4	H7	122.570
N3	C1	H6	121.483	N3	C5	C4	109.893
N3	C5	H8	122.570	C4	C5	H8	127.537
C5	C4	H7	127.537

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

using model chemistry: MP2=FULL/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: MP2=FULL/6-31G**

States and conformations

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